4,4′-Dimethyl-2,2′-{[2,3,3a,4,5,6,7,7a-octahydro-1 H -benzimidazole-1,3-diyl]bis(methylene)}diphenol (original) (raw)

2013, Acta Crystallographica Section E Structure Reports Online

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The compound 4,4′-Dimethyl-2,2′-{[2,3,3a,4,5,6,7,7a-octahydro-1 H -benzimidazole-1,3-diyl]bis(methylene)}diphenol was synthesized and characterized, revealing a unique molecular conformation stabilized by intramolecular hydrogen bonds. The crystallization process led to an orthorhombic arrangement differing from a previously reported racemic mixture, exhibiting specific non-classical interactions that affect molecular stacking in the crystal lattice.

Crystal structure of 22,24,25-trimethyl-8,11,14-trioxa-25-aza-tetra-cyclo-[19.3.1.0(2,7).0(15,20)]penta-cosa-2,4,6,15(20),16,18-hexaen-23-one

Acta crystallographica. Section E, Crystallographic communications, 2017

The title compound, C24H29NO4, is the product of a Petrenko-Kritchenko condensation of 1,5-bis-(2-formyl-phen-oxy)-3-oxa-pentane, pentan-3-one and methyl-ammonium acetate in ethanol. The mol-ecule has mirror symmetry. The aza-14-crown-3 ether ring adopts a bowl conformation stabilized by a weak intra-molecular C-H⋯O hydrogen bond. The conformation of the C-O-C-C-O-C-C-O-C polyether chain is t-g(+)-t-t-g(-)-t (t = trans, 180°; g = gauche, ±60°). The dihedral angle between the benzene rings fused to the aza-14-crown-4-ether moiety is 72.68 (4)°. The piperidinone ring adopts a chair conformation. The nitro-gen atom has a trigonal-pyramidal geometry, the sum of the bond angles being 335.9°. In the crystal, the mol-ecules are linked by weak C-H⋯O inter-actions, forming zigzag chains propagating along the [100] direction.

Crystal Structure of a Rearranged Cage Compound, 3-Hydroxy-4-aza-8-oxoheptacyclo [9.4.1.02,10.03,14.04,9.09,13.012,15]tetradecane

Journal of Chemical Crystallography, 2008

Polycyclic hydrocarbon compounds exhibit a wide variety of biological activities, ranging from antiviral to Parkinson's disease. Several structures such as the adamantanes have reached clinical status and are used therapeutically to treat, amongst others, neurodegenerative disorders such as Alzheimer's. Polycyclics have also been utilised as carrier molecules to facilitate entry of drugs into the brain. The synthesis, molecular and crystal structure of a new polycyclic compound, 3-hydroxy-4-aza-8-oxoheptacyclo[9.4.1.0 2,10 .0 3,14 .0 4,9 .0 9,13 .0 12,15 ]tetradecane, are reported. NMR spectroscopy was applied for structure elucidation of the novel compound and a rearrangement mechanism is proposed for its formation. This compound crystallises in the orthorhombic system, space group Pbca (no. 61). The unit cell parameters are: a = 12.3763 (7), b = 11.6597 (6), c = 15.0539 (8) Å , V = 2172.3 (2) Å 3 , and Z = 8 molecules in the unit cell. The reported structure was confirmed by X-ray analysis, which showed that the title molecules associate into centrosymmetric dimers via N-HÁÁÁO hydrogen bonding.

12-(4-Chlorophenyl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

Acta Crystallographica Section E Structure Reports Online, 2010

Crystal structure of ( 1α,8α,9β,12β)-1,8-diphenyl-13- oxatetracyclo-[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene, C24H18O

Zeitschrift für Kristallographie - New Crystal Structures, 2002

metal-organic compounds Acta Crystallographica Section E Structure Reports Online

2011

R factor = 0.020; wR factor = 0.053; data-to-parameter ratio = 27.4. In the title compound, (C7H11N2)2[ZnCl4], [ZnCl4] 2 anions and 4-(dimethylamino)pyridinium cations are held together by various intermolecular interactions including Coulombic attraction, hydrogen bonding and – stacking interactions. Three Cl atoms of the [ZnCl4] 2 tetrahedron act as acceptors in N—H Cl hydrogen bonds. The hydrogen bonds, both of which are bifurcated, lead to the formation of a threedimensional network. Within the network, intermolecular – stacking interactions with a centroid–centroid distance of 3.5911 (7) A ˚ arrange the 4-(dimethylamino)pyridinium cations into antiparallel dimers. Related literature For common applications of organic–inorganic hybrid materials,

Crystal structure of 2-[12-methyl-14- phenyl-10,13,14,16-tetraazatetracyclo- [7.7.0.02,7.011,15]hexadeca-1(16),2,4,- 6,9,11(15),12-heptaen-8-ylidene]- propandinitrile

In the title molecule, C 22 H 12 N 6 , the fused tetracyclic core shows a small lengthwise twist as indicated by the dihedral of 2.7 (2) between the outer rings. In the crystal, molecules stack along the b-axis direction via offset -stacking [centroidcentroid distances = 3.5282 (13) and 3.5597 (14) Å ] with the stacks weakly associated through C-HÁ Á ÁN hydrogen bonds. The phenyl ring is rotationally disordered over two orientations with an occupancy ratio of 0.516 (4):0.484 (4).

14-Hydroxy-11-[( E )-4-methoxybenzylidene]-8-(4-methoxyphenyl)-5-thia-3,13-diazaheptacyclo[13.7.1.1 9,13 .0 2,9 .0 2,14 .0 3,7 .0 19,23 ]tetracosa-1(22),15(23),16,18,20-pentaen-10-one

Acta Crystallographica Section E Structure Reports Online, 2011

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Crystal and Molecular Structure of 12-(2-Methoxyphenyl)-9-[(4- methylbenzene)sulfonyl]-22-oxo-13,21-dioxa-9-azapentacyclo [12.8.0.02,11.03,8.015,20]docosa-1(14),3,5,7,15(20),16,18-heptaene-11-carbonitrile

Crystal structure of 2,9-diphenyl-17λ(6)-thia-tetra-cyclo-[8.7.0.0(3,8).0(11,16)]hepta-deca-1(10),2,4,6,8,11(16),12,14-octa-ene-17,17-dione

Acta crystallographica. Section E, Structure reports online, 2014

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Acta crystallographica. Section E, Crystallographic communications, 2018

2,4,6,8-Tetrakis(2-methoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one diethyl ether hemisolvate. Hoong-Kun Fun, Chin Sing Yeap, K. Rajesh, S. Sarveswari and V. Vijayakumar, Acta Cryst. (2009), E65, o2486–o2487

Crystal structure of trans-N 1,N 8-bis(2-cyanoethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, C22H42N6

Zeitschrift für Kristallographie - New Crystal Structures

4,4′-Dimethoxy-2,2′-{[(3a RS ,7a RS )-2,3,3a,4,5,6,7,7a-octahydro-1 H -1,3-benzimidazole-1,3-diyl]bis(methylene)}diphenol

Acta Crystallographica Section E Structure Reports Online, 2011