Hans Reuter | Universität Osnabrück (original) (raw)
Papers by Hans Reuter
Canadian Journal of Chemistry, 2014
The reaction of diorganotin(IV) oxides, R2SnO with R = Me, Et, and i-Pr, with nitric acid in diff... more The reaction of diorganotin(IV) oxides, R2SnO with R = Me, Et, and i-Pr, with nitric acid in different stoichiometric ratios resulted in the formation of different products depending on the organic groups. The diorganotin(IV) nitrate hydroxides Me2Sn(NO3)(OH) (1a) Et2Sn(NO3)(OH), α-1b, β-1b, i-Pr2Sn(NO3)(OH) (1c), the diisopropyltin(IV) dinitrate dihydrate, i-Pr2Sn(NO3)2·2H2O (2c) and the diisopropyltin(IV) nitrate oxalate dihydrate, [i-Pr2Sn(NO3)]2Ox·2H2O (3) as side-product. On examination of the solubility of the primary reaction products in different solvents, the two additional compounds Me2Sn(NO3)(OH)·DMSO (4) and 2i-Pr2Sn(NO3)2·3DMSO = [i-Pr2Sn(NO3)(dmso)3] [i-Pr2Sn(NO3)3] (5) have been isolated. All compounds have been structurally characterized by single crystal X-ray diffraction with special respect to dimensionality (1a, α-1b, 1c = dimeric molecules hydrogen bonded to one-dimensional chains; β-1b = two-dimensional coordination polymer; 2c = monomeric; 3 = monomeric, tin a...
Zeitschrift Fur Kristallographie-new Crystal Structures, Jun 1, 2004
C 7 H 10 O 4 Sn, monoclinic, C12/c1 (no. 15), a = 12.459(3) Å, b = 9.676(2) Å, c = 16.237(3) Å, b... more C 7 H 10 O 4 Sn, monoclinic, C12/c1 (no. 15), a = 12.459(3) Å, b = 9.676(2) Å, c = 16.237(3) Å, b = 99.55(2)°, V = 1930.3 Å 3 , Z = 8, R gt (F) = 0.032, wR ref (F 2 ) = 0.084, T = 293 K. A suitable single crystal of the title compound was found after a long period (about 8 years) of unsuccessful attempts in a sample declared to be Sn(II) acetylacetonate. This sample consisting of a red liquid and some solid clumps was sent to us for structure determination by Dr. Dieter Guhl (Th. Goldschmidt AG, Essen).
![Research paper thumbnail of ChemInform Abstract: [Ga(en)3][Ga3Se7(en)]×H2O: A Gallium Chalcogenide with Chains of [Ga3Se6Se2/2(en)]3‐ Bicycles](https://attachments.academia-assets.com/118552711/thumbnails/1.jpg)
](ChemInform, 2010
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was e... more ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Zeitschrift für Kristallographie - Crystalline Materials, 1997
The crystal structure of ammonium hexaaquanickel(II) phosphate [Ni(H
Zeitschrift für Naturforschung B, 2018
A new stacking variant of sodium hexa-hydroxo platinate(IV), Na2Pt(OH)6, was synthesized and its ... more A new stacking variant of sodium hexa-hydroxo platinate(IV), Na2Pt(OH)6, was synthesized and its structure elucidated through X-ray diffraction. The new polymorph was prepared by direct reaction of PtO2 with an excess of NaOH solution applying elevated oxygen pressure at 300°C. The structure consists of layers of edge sharing Pt(OH)6 and Na(OH)6 octahedra. These layers are separated by an edge-to-edge distance of ~2.4 Å. The packing of the hydroxide ions corresponds to the hcp sequence, the title compound thus may be regarded a cation ordered variant of the Brucite structure type. During heating above T~300°C all constitutional water is released, and anhydrous Na2PtO3 remains as the solid residue.
Zeitschrift für anorganische und allgemeine Chemie, 2000
Professor Frank Seela zum 60. Geburtstag gewidmet Inhaltsu È bersicht. Einkristalle von Zinn(IV)-... more Professor Frank Seela zum 60. Geburtstag gewidmet Inhaltsu È bersicht. Einkristalle von Zinn(IV)-chlorid wurden gezu È chtet und die Kristallstuktur ro È ntgenographisch bestimmt. Die Verbindung kristallisiert monoklin in der Raumgruppe P2 1 /c mit a = 9.8642(19), b = 6.6800(14), c = 9.9377(16) A Ê , b = 102.945(13)°, V = 638.2(2) A Ê 3 , Z = 4 und ist isostrukturell zum SnBr 4. Die tetraedrische Symmetrie der isolierten Moleku È le ist sowohl bei den Atomabsta È nden als auch Bindungswinkeln sehr gut angena È hert, wobei die Sn±Cl-Absta È nde mit im Mittel 227.9(3) pm sehr viel kleiner sind als die Summe (239 pm) der Normalkovalenzradien von Zinn und Chlor. Eine Mo È glichkeit zur Kristallstrukturbeschreibung auf der Basis der hexagonal-dichten Kugelpakkung wird vorgestellt. Tin-Halide Compounds. I. The Molecular and Crystal Structure of Tin(IV) Chloride Abstract. Single crystals of tin(IV) chloride were grown and the crystal structure determined by X-ray crystallography. The compound crystallizes monoclinic in the space group P2 1 /c with a = 9.8642(19), b = 6.6800(14), c = 9.9377(16) A Ê , b = 102.945(13)°, V = 638.2(2) A Ê 3 , Z = 4 and is isostructural to SnBr 4. The tetrahedral symmetry of the isolated molecules is very well realised as well as for the bond lengths and angles. The Sn±Cl distances with an average value of 227.9(3) pm are smaller than the sum (239 pm) of the normal covalence radii of tin and chlorine. An approach for the description of the crystal structure packing on the basis of the hexagonal-close packing is given.
Angewandte Chemie International Edition in English, 1995
Angewandte Chemie International Edition in English, 1995
... Dr. Hans Reuter, Institut für Chemie der Universität, Postfach 4469, D-49069 Osnabrück (Germa... more ... Dr. Hans Reuter, Institut für Chemie der Universität, Postfach 4469, D-49069 Osnabrück (Germany), Telefax: Int. ... The comprehension of the laws that rule the linking of simple polyhedra to give complex systems enables one to deal with numerous interdisciplinary areas of ...
Acta Crystallographica Section C Crystal Structure Communications, 2001
In the title compound, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzotriazole, C11H14... more In the title compound, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzotriazole, C11H14N4O3, the conformation of the N-glycosidic bond is in the high-anti range [chi = -77.1 (4) degrees ] and the 2'-deoxyribofuranose moiety adopts a 2'-endo ((2)E) sugar puckering. The 5'-hydroxyl group is disordered and has conformations ap with gamma = 171.1 (3) degrees [occupation of 61.4 (3)%] and +sc with gamma = 52.4 (6) degrees [occupation of 38.6 (3)%]. The nucleobases are stacked in the crystal state.
![Research paper thumbnail of The Regioisomeric 1H(2H)‐Pyrazolo[3,4‐d]pyrimidine N1‐ and N2‐(2′‐Deoxy‐β‐D‐ribofuranosides)](https://attachments.academia-assets.com/118552655/thumbnails/1.jpg)
](ChemInform, 2003
The Regioisomeric 1H(2H)-Pyrazolo[3,4-d]pyrimidine N 1-and N 2-(2'-Deoxyβ-D-ribofuranosides).-The... more The Regioisomeric 1H(2H)-Pyrazolo[3,4-d]pyrimidine N 1-and N 2-(2'-Deoxyβ-D-ribofuranosides).-The X-ray crystal structures of the two regioisomeric ribofuranoside derivatives (I) and (II) are determined.
Acta crystallographica. Section C, Structural chemistry, 2014
The title compound {systematic name: 4-amino-5-cyclopropyl-7-(2-deoxy-β-D-erythro-pentofuranosyl)... more The title compound {systematic name: 4-amino-5-cyclopropyl-7-(2-deoxy-β-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine}, C14H18N4O3, exhibits an anti glycosylic bond conformation, with the torsion angle χ = -108.7 (2)°. The furanose group shows a twisted C1'-exo sugar pucker (S-type), with P = 120.0 (2)° and τm = 40.4 (1)°. The orientation of the exocyclic C4'-C5' bond is -ap (trans), with the torsion angle γ = -167.1 (2)°. The cyclopropyl substituent points away from the nucleobase (anti orientation). Within the three-dimensional extended crystal structure, the individual molecules are stacked and arranged into layers, which are highly ordered and stabilized by hydrogen bonding. The O atom of the exocyclic 5'-hydroxy group of the sugar residue acts as an acceptor, forming a bifurcated hydrogen bond to the amino groups of two different neighbouring molecules. By this means, four neighbouring molecules form a rhomboidal arrangement of two bifurcated hydrogen bo...
Acta crystallographica. Section C, Crystal structure communications, 2007
ABSTRACT In the title compound [systematic name: 7-(2-deoxy-β-d-erythro-pentofuranosyl)-2-fluor... more ABSTRACT In the title compound [systematic name: 7-(2-deoxy-β-d-erythro-pentofuranosyl)-2-fluoro-7H-pyrrolo[2,3-d]pyrimidin-2-amine], C11H13FN4O3, the conformation of the N-glycosylic bond is between anti and high-anti [χ = −110.2 (3)°]. The 2′-deoxyribofuranosyl unit adopts the N-type sugar pucker (4T3), with P = 40.3° and τm = 39.2°. The orientation of the exocyclic C4′—C5′ bond is −ap (trans), with a torsion angle γ = −168.39 (18)°. The nucleobases are arranged head-to-head. The crystal structure is stabilized by four intermolecular hydrogen bonds of types N—H⋯N, N—H⋯O and O—H⋯O.
Acta crystallographica. Section C, Crystal structure communications, 2006
In 4-chloro-7-(2-deoxy-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, C1... more In 4-chloro-7-(2-deoxy-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, C11H14ClN5O3, the conformation of the N-glycosylic bond is between anti and high-anti [chi = -102.5 (6) degrees]. The 2'-deoxyribofuranosyl unit adopts the C3'-endo-C4'-exo (3T4) sugar pucker (N-type) with P = 19.6 degrees and taum = 32.9 degrees [terminology: Saenger (1989). Landolt-Börnstein New Series, Vol. 1, Nucleic Acids, Subvol. a, edited by O. Madelung, pp. 1-21. Berlin: Springer-Verlag]. The orientation of the exocyclic C4'-C5' bond is +ap (trans) with a torsion angle gamma = 171.5 (4) degrees. The compound forms a three-dimensional network that is stabilized by four intermolecular hydrogen bonds (N-H...O and O-H...N) and one intramolecular hydrogen bond (N-H...Cl).
Acta crystallographica. Section C, Crystal structure communications, 2004
# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_I _shelx_title '... more # # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_I _shelx_title ' Wl001 in P2(1)2(1)2(1)' _shelx_refln_list_code 4 _shelx_F_calc_maximum 230.07 _exptl_crystal_F_000 608.00 _reflns_d_resolution_high 0.7328 loop_ _symmetry_equiv_pos_as_xyz ...
ChemInform, 2007
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was e... more ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Acta crystallographica. Section C, Crystal structure communications, 2010
The title compound, C(10)H(12)FN(5)O(4).H(2)O, shows an anti glycosyl orientation [chi = -123.1 (... more The title compound, C(10)H(12)FN(5)O(4).H(2)O, shows an anti glycosyl orientation [chi = -123.1 (2) degrees]. The 2-deoxy-2-fluoroarabinofuranosyl moiety exhibits a major C2'-endo sugar puckering (S-type, C2'-endo-C1'-exo, (2)T(1)), with P = 156.9 (2) degrees and tau(m) = 36.8 (1) degrees , while in solution a predominantly N conformation of the sugar moiety is observed. The conformation around the exocyclic C4'-C5' bond is -sc (trans, gauche), with gamma = -78.3 (2) degrees. Both nucleoside and solvent molecules participate in the formation of a three-dimensional hydrogen-bonding pattern via intermolecular N-H...O and O-H...O hydrogen bonds; the N atoms of the heterocyclic moiety and the F substituent do not take part in hydrogen bonding.
Nucleosides, Nucleotides and Nucleic Acids, 2007
The crystal structures of the title compounds 1 and 2 have been determined. Relation between the ... more The crystal structures of the title compounds 1 and 2 have been determined. Relation between the stereochemistry of both nucleosides in the crystal state and the (1)H NMR data in solution as well as the ab initio calculations is discussed.
Crystals, Aug 18, 2023
This article is an open access article distributed under the terms and conditions of the Creative... more This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY
Journal of inorganic biochemistry, 2017
Seven hexacoordinated cis-dioxidomolybdenum(VI) complexes [MoO2L(1-7)] (1-7) derived from various... more Seven hexacoordinated cis-dioxidomolybdenum(VI) complexes [MoO2L(1-7)] (1-7) derived from various tetradentate diamino bis(phenolato) "salan" ligands, N,N'-dimethyl-N,N'-bis-(2-hydroxy-3-X-5-Y-6-Z-benzyl)-1,2-diaminoethane {(X=Br, Y=Me, Z=H (H2L(1)); X=Me, YCl, Z=H (H2L(2)); X=(i)Pr, Y=Cl, Z=Me (H2L(3))} and N,N'-bis-(2-hydroxy-3-X-5-Y-6-Z-benzyl)-1,2-diaminopropane {(X=Y=(t)Bu, Z=H (H2L(4)); X=Y=Me, Z=H (H2L(5)); X=(i)Pr, YCl, Z=Me (H2L(6)); X=Y=Br, Z=H (H2L(7))} containing O-N donor atoms, have been isolated and structurally characterized. The formation of cis-dioxidomolybdenum(VI) complexes was confirmed by elemental analysis, IR, UV-vis and NMR spectroscopy, ESI-MS and cyclic voltammetry. X-ray crystallography showed the O2N2 donor set to define an octahedral geometry in each case. The complexes (1-7) were tested for their in vitro antiproliferative activity against HT-29 and HeLa cancer cell line. IC50 values of the complexes in HT-29 follow the order 6<...
Canadian Journal of Chemistry, 2014
The reaction of diorganotin(IV) oxides, R2SnO with R = Me, Et, and i-Pr, with nitric acid in diff... more The reaction of diorganotin(IV) oxides, R2SnO with R = Me, Et, and i-Pr, with nitric acid in different stoichiometric ratios resulted in the formation of different products depending on the organic groups. The diorganotin(IV) nitrate hydroxides Me2Sn(NO3)(OH) (1a) Et2Sn(NO3)(OH), α-1b, β-1b, i-Pr2Sn(NO3)(OH) (1c), the diisopropyltin(IV) dinitrate dihydrate, i-Pr2Sn(NO3)2·2H2O (2c) and the diisopropyltin(IV) nitrate oxalate dihydrate, [i-Pr2Sn(NO3)]2Ox·2H2O (3) as side-product. On examination of the solubility of the primary reaction products in different solvents, the two additional compounds Me2Sn(NO3)(OH)·DMSO (4) and 2i-Pr2Sn(NO3)2·3DMSO = [i-Pr2Sn(NO3)(dmso)3] [i-Pr2Sn(NO3)3] (5) have been isolated. All compounds have been structurally characterized by single crystal X-ray diffraction with special respect to dimensionality (1a, α-1b, 1c = dimeric molecules hydrogen bonded to one-dimensional chains; β-1b = two-dimensional coordination polymer; 2c = monomeric; 3 = monomeric, tin a...
Zeitschrift Fur Kristallographie-new Crystal Structures, Jun 1, 2004
C 7 H 10 O 4 Sn, monoclinic, C12/c1 (no. 15), a = 12.459(3) Å, b = 9.676(2) Å, c = 16.237(3) Å, b... more C 7 H 10 O 4 Sn, monoclinic, C12/c1 (no. 15), a = 12.459(3) Å, b = 9.676(2) Å, c = 16.237(3) Å, b = 99.55(2)°, V = 1930.3 Å 3 , Z = 8, R gt (F) = 0.032, wR ref (F 2 ) = 0.084, T = 293 K. A suitable single crystal of the title compound was found after a long period (about 8 years) of unsuccessful attempts in a sample declared to be Sn(II) acetylacetonate. This sample consisting of a red liquid and some solid clumps was sent to us for structure determination by Dr. Dieter Guhl (Th. Goldschmidt AG, Essen).
ChemInform, 2010
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was e... more ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Zeitschrift für Kristallographie - Crystalline Materials, 1997
The crystal structure of ammonium hexaaquanickel(II) phosphate [Ni(H
Zeitschrift für Naturforschung B, 2018
A new stacking variant of sodium hexa-hydroxo platinate(IV), Na2Pt(OH)6, was synthesized and its ... more A new stacking variant of sodium hexa-hydroxo platinate(IV), Na2Pt(OH)6, was synthesized and its structure elucidated through X-ray diffraction. The new polymorph was prepared by direct reaction of PtO2 with an excess of NaOH solution applying elevated oxygen pressure at 300°C. The structure consists of layers of edge sharing Pt(OH)6 and Na(OH)6 octahedra. These layers are separated by an edge-to-edge distance of ~2.4 Å. The packing of the hydroxide ions corresponds to the hcp sequence, the title compound thus may be regarded a cation ordered variant of the Brucite structure type. During heating above T~300°C all constitutional water is released, and anhydrous Na2PtO3 remains as the solid residue.
Zeitschrift für anorganische und allgemeine Chemie, 2000
Professor Frank Seela zum 60. Geburtstag gewidmet Inhaltsu È bersicht. Einkristalle von Zinn(IV)-... more Professor Frank Seela zum 60. Geburtstag gewidmet Inhaltsu È bersicht. Einkristalle von Zinn(IV)-chlorid wurden gezu È chtet und die Kristallstuktur ro È ntgenographisch bestimmt. Die Verbindung kristallisiert monoklin in der Raumgruppe P2 1 /c mit a = 9.8642(19), b = 6.6800(14), c = 9.9377(16) A Ê , b = 102.945(13)°, V = 638.2(2) A Ê 3 , Z = 4 und ist isostrukturell zum SnBr 4. Die tetraedrische Symmetrie der isolierten Moleku È le ist sowohl bei den Atomabsta È nden als auch Bindungswinkeln sehr gut angena È hert, wobei die Sn±Cl-Absta È nde mit im Mittel 227.9(3) pm sehr viel kleiner sind als die Summe (239 pm) der Normalkovalenzradien von Zinn und Chlor. Eine Mo È glichkeit zur Kristallstrukturbeschreibung auf der Basis der hexagonal-dichten Kugelpakkung wird vorgestellt. Tin-Halide Compounds. I. The Molecular and Crystal Structure of Tin(IV) Chloride Abstract. Single crystals of tin(IV) chloride were grown and the crystal structure determined by X-ray crystallography. The compound crystallizes monoclinic in the space group P2 1 /c with a = 9.8642(19), b = 6.6800(14), c = 9.9377(16) A Ê , b = 102.945(13)°, V = 638.2(2) A Ê 3 , Z = 4 and is isostructural to SnBr 4. The tetrahedral symmetry of the isolated molecules is very well realised as well as for the bond lengths and angles. The Sn±Cl distances with an average value of 227.9(3) pm are smaller than the sum (239 pm) of the normal covalence radii of tin and chlorine. An approach for the description of the crystal structure packing on the basis of the hexagonal-close packing is given.
Angewandte Chemie International Edition in English, 1995
Angewandte Chemie International Edition in English, 1995
... Dr. Hans Reuter, Institut für Chemie der Universität, Postfach 4469, D-49069 Osnabrück (Germa... more ... Dr. Hans Reuter, Institut für Chemie der Universität, Postfach 4469, D-49069 Osnabrück (Germany), Telefax: Int. ... The comprehension of the laws that rule the linking of simple polyhedra to give complex systems enables one to deal with numerous interdisciplinary areas of ...
Acta Crystallographica Section C Crystal Structure Communications, 2001
In the title compound, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzotriazole, C11H14... more In the title compound, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzotriazole, C11H14N4O3, the conformation of the N-glycosidic bond is in the high-anti range [chi = -77.1 (4) degrees ] and the 2'-deoxyribofuranose moiety adopts a 2'-endo ((2)E) sugar puckering. The 5'-hydroxyl group is disordered and has conformations ap with gamma = 171.1 (3) degrees [occupation of 61.4 (3)%] and +sc with gamma = 52.4 (6) degrees [occupation of 38.6 (3)%]. The nucleobases are stacked in the crystal state.
ChemInform, 2003
The Regioisomeric 1H(2H)-Pyrazolo[3,4-d]pyrimidine N 1-and N 2-(2'-Deoxyβ-D-ribofuranosides).-The... more The Regioisomeric 1H(2H)-Pyrazolo[3,4-d]pyrimidine N 1-and N 2-(2'-Deoxyβ-D-ribofuranosides).-The X-ray crystal structures of the two regioisomeric ribofuranoside derivatives (I) and (II) are determined.
Acta crystallographica. Section C, Structural chemistry, 2014
The title compound {systematic name: 4-amino-5-cyclopropyl-7-(2-deoxy-β-D-erythro-pentofuranosyl)... more The title compound {systematic name: 4-amino-5-cyclopropyl-7-(2-deoxy-β-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine}, C14H18N4O3, exhibits an anti glycosylic bond conformation, with the torsion angle χ = -108.7 (2)°. The furanose group shows a twisted C1'-exo sugar pucker (S-type), with P = 120.0 (2)° and τm = 40.4 (1)°. The orientation of the exocyclic C4'-C5' bond is -ap (trans), with the torsion angle γ = -167.1 (2)°. The cyclopropyl substituent points away from the nucleobase (anti orientation). Within the three-dimensional extended crystal structure, the individual molecules are stacked and arranged into layers, which are highly ordered and stabilized by hydrogen bonding. The O atom of the exocyclic 5'-hydroxy group of the sugar residue acts as an acceptor, forming a bifurcated hydrogen bond to the amino groups of two different neighbouring molecules. By this means, four neighbouring molecules form a rhomboidal arrangement of two bifurcated hydrogen bo...
Acta crystallographica. Section C, Crystal structure communications, 2007
ABSTRACT In the title compound [systematic name: 7-(2-deoxy-β-d-erythro-pentofuranosyl)-2-fluor... more ABSTRACT In the title compound [systematic name: 7-(2-deoxy-β-d-erythro-pentofuranosyl)-2-fluoro-7H-pyrrolo[2,3-d]pyrimidin-2-amine], C11H13FN4O3, the conformation of the N-glycosylic bond is between anti and high-anti [χ = −110.2 (3)°]. The 2′-deoxyribofuranosyl unit adopts the N-type sugar pucker (4T3), with P = 40.3° and τm = 39.2°. The orientation of the exocyclic C4′—C5′ bond is −ap (trans), with a torsion angle γ = −168.39 (18)°. The nucleobases are arranged head-to-head. The crystal structure is stabilized by four intermolecular hydrogen bonds of types N—H⋯N, N—H⋯O and O—H⋯O.
Acta crystallographica. Section C, Crystal structure communications, 2006
In 4-chloro-7-(2-deoxy-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, C1... more In 4-chloro-7-(2-deoxy-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, C11H14ClN5O3, the conformation of the N-glycosylic bond is between anti and high-anti [chi = -102.5 (6) degrees]. The 2'-deoxyribofuranosyl unit adopts the C3'-endo-C4'-exo (3T4) sugar pucker (N-type) with P = 19.6 degrees and taum = 32.9 degrees [terminology: Saenger (1989). Landolt-Börnstein New Series, Vol. 1, Nucleic Acids, Subvol. a, edited by O. Madelung, pp. 1-21. Berlin: Springer-Verlag]. The orientation of the exocyclic C4'-C5' bond is +ap (trans) with a torsion angle gamma = 171.5 (4) degrees. The compound forms a three-dimensional network that is stabilized by four intermolecular hydrogen bonds (N-H...O and O-H...N) and one intramolecular hydrogen bond (N-H...Cl).
Acta crystallographica. Section C, Crystal structure communications, 2004
# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_I _shelx_title '... more # # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_I _shelx_title ' Wl001 in P2(1)2(1)2(1)' _shelx_refln_list_code 4 _shelx_F_calc_maximum 230.07 _exptl_crystal_F_000 608.00 _reflns_d_resolution_high 0.7328 loop_ _symmetry_equiv_pos_as_xyz ...
ChemInform, 2007
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was e... more ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Acta crystallographica. Section C, Crystal structure communications, 2010
The title compound, C(10)H(12)FN(5)O(4).H(2)O, shows an anti glycosyl orientation [chi = -123.1 (... more The title compound, C(10)H(12)FN(5)O(4).H(2)O, shows an anti glycosyl orientation [chi = -123.1 (2) degrees]. The 2-deoxy-2-fluoroarabinofuranosyl moiety exhibits a major C2'-endo sugar puckering (S-type, C2'-endo-C1'-exo, (2)T(1)), with P = 156.9 (2) degrees and tau(m) = 36.8 (1) degrees , while in solution a predominantly N conformation of the sugar moiety is observed. The conformation around the exocyclic C4'-C5' bond is -sc (trans, gauche), with gamma = -78.3 (2) degrees. Both nucleoside and solvent molecules participate in the formation of a three-dimensional hydrogen-bonding pattern via intermolecular N-H...O and O-H...O hydrogen bonds; the N atoms of the heterocyclic moiety and the F substituent do not take part in hydrogen bonding.
Nucleosides, Nucleotides and Nucleic Acids, 2007
The crystal structures of the title compounds 1 and 2 have been determined. Relation between the ... more The crystal structures of the title compounds 1 and 2 have been determined. Relation between the stereochemistry of both nucleosides in the crystal state and the (1)H NMR data in solution as well as the ab initio calculations is discussed.
Crystals, Aug 18, 2023
This article is an open access article distributed under the terms and conditions of the Creative... more This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY
Journal of inorganic biochemistry, 2017
Seven hexacoordinated cis-dioxidomolybdenum(VI) complexes [MoO2L(1-7)] (1-7) derived from various... more Seven hexacoordinated cis-dioxidomolybdenum(VI) complexes [MoO2L(1-7)] (1-7) derived from various tetradentate diamino bis(phenolato) "salan" ligands, N,N'-dimethyl-N,N'-bis-(2-hydroxy-3-X-5-Y-6-Z-benzyl)-1,2-diaminoethane {(X=Br, Y=Me, Z=H (H2L(1)); X=Me, YCl, Z=H (H2L(2)); X=(i)Pr, Y=Cl, Z=Me (H2L(3))} and N,N'-bis-(2-hydroxy-3-X-5-Y-6-Z-benzyl)-1,2-diaminopropane {(X=Y=(t)Bu, Z=H (H2L(4)); X=Y=Me, Z=H (H2L(5)); X=(i)Pr, YCl, Z=Me (H2L(6)); X=Y=Br, Z=H (H2L(7))} containing O-N donor atoms, have been isolated and structurally characterized. The formation of cis-dioxidomolybdenum(VI) complexes was confirmed by elemental analysis, IR, UV-vis and NMR spectroscopy, ESI-MS and cyclic voltammetry. X-ray crystallography showed the O2N2 donor set to define an octahedral geometry in each case. The complexes (1-7) were tested for their in vitro antiproliferative activity against HT-29 and HeLa cancer cell line. IC50 values of the complexes in HT-29 follow the order 6<...