The crystal structure of fac-tricarbonyl(4,4-dimethyl-2,2-dipyridyl-κ2 N,N′)- (pyrazole-κN)rhenium(I) nitrate, C18H16O3N4Re (original) (raw)

The crystal structure of fac-tricarbonyl(N-benzoyl-N,N-cyclohexylmethylcarbamimidothioato-κ2 S,O)-(pyridine-κN)rhenium(I), C23H24N3O4ReS

Zeitschrift für Kristallographie - New Crystal Structures

C23H24N3O4ReS, orthorhombic, Pbca (no. 61), a = 15.1264(4) Å, b = 15.1167(5) Å, c = 20.1500 Å, V = 4607.5(2) Å3, Z = 8, T = 150(2) K, R gt (F) = 0.0416, wR ref (F 2) = 0.0691.

Crystal structure of bromido-fac-tricarbon-yl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ(2) N,N']rhenium(I)

Acta crystallographica. Section E, Structure reports online, 2014

In the title compound, [ReBr(C13H10N4)(CO)3], the Re(I) atom has a distorted octa-hedral coordination environment. Two N atoms of the 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in the axial positions. The three carbonyl ligands are arranged in a fac configuration around the Re(I) atom. Mutual N-H⋯Br hydrogen bonds arrange mol-ecules into centrosymmetric dimers. Additional stabilization within the crystal structure is provided by C-H⋯O and C-H⋯Br hydrogen bonds, as well as by slipped π-π stacking inter-actions [centroid-to-centroid distance = 3.785 (5) Å], defining a three-dimensional network.

Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole

Crystallography Reports, 2017

Crystal structure of the title compound C 22 H 19 N 3 O is determined by single crystal X-ray diffraction (sp. gr. P2 1 /c, Z = 4). The molecule as a whole, is not planar: phenyl cycles are rotated relative to the plane of pyrazole ring. N−H•••N intramolecular hydrogen bond forms five-membered ring fused to pyrazole ring. There are also intramolecular C−H•••O and C−H•••π interactions. Intermolecular C−H•••O hydrogen bond links the molecules into a C(7) chain along the a axis. The crystal structure is stabilized also by C-H•••π and π•••π intermolecular hydrogen bonds.

Crystal structure of N′-(4-(dimethylamino)benzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C19H19N5O

Zeitschrift für Kristallographie - New Crystal Structures, 2016

C19H19N5O, triclinic, P1̅ (no. 2), a = 11.8865(6) Å, b = 12.6289(7) Å, c = 13.5579(7) Å, α = 74.552(2)°, β = 83.174(2)°, γ = 62.534(2)°, V = 1740.56(16) Å3, Z = 4, R gt (F) = 0.0610, wR ref (F 2 ) = 0.1713, T = 100 K.

(3a R ,6a R )-1-Phenyl-5-[( R )-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]-1,6a-dihydropyrrolo[3,4- c ]pyrazole-4,6(3a H ,5 H )-dione

Acta Crystallographica Section E Structure Reports Online, 2009

3aR,6aR)-1-Phenyl-5-[(R)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)dione Inorganic compounds Metal-organic compounds Organic compounds

Crystal structure of ethyl-5-amino-1-(2,4-dinitrophenyl)-1H-pyrazole-4-carboxylate, C12H11N5O6

Zeitschrift für Kristallographie - New Crystal Structures, 2016

C12H11N5O6, triclinic, P1̅ (no. 2), a = 10.4031(5) Å, b = 11.3191(5) Å, c = 13.2540(6) Å, α = 97.666(2)°, β = 102.252(2)°, γ = 110.182(2)°, V = 1394.73(11) Å3, Z = 4, R gt (F) = 0.0348, wR ref (F 2 ) = 0.1030, T = 100 K, D calc = 1.530 mg m−3.

Crystal structure of N′-(4-nitrobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C17H13N5O3

Zeitschrift für Kristallographie - New Crystal Structures, 2016

C17H13N5O3, monoclinic, P21/c (no. 14), a = 20.1049(8) Å, b = 11.1534(4) Å, c = 6.8890(3) Å, β = 97.224(2)°, V = 1532.51(11) Å3, Z = 4, R gt (F) = = 0.0451, wR ref (F 2 ) = 0.1153, T = 100 K.

6-Amino-3,4-dimethyl-4-phenyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Acta crystallographica. Section E, Structure reports online, 2011

Metal-organic compounds Organic compounds Acta Crystallographica Section E: Structure Reports Online is the IUCr's highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2007, the journal published over 5000 structures. The average publication time is less than one month.

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1′-(1,3-Diphenyl-1 H -pyrazol-4-yl)-2′,3′,5′,6′,7′,7a'-hexahydro-1′ H -dispiro[acenaphthylene-1,3′-pyrrolizine-2′,3′′-chromane]-2,4′′(1 H )-dione

Acta Crystallographica Section E Structure Reports Online, 2013