Crystal structure of N′-(4-nitrobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C17H13N5O3 (original) (raw)
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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.
Crystal structure ofN′-diphenylmethylidene-5-methyl-1H-pyrazole-3-carbohydrazide
Acta Crystallographica Section E Crystallographic Communications, 2015
In the title compound, C18H16N4O, the planes of the phenyl rings are approximately perpendicular to each other [dihedral angle = 78.07 (8)°] and form dihedral angles of 56.43 (8) and 24.59 (8)° with the pyrazole ring. In the crystal, molecules are linked by N—H...O hydrogen bonds to form one-dimensional chains parallel to the [010] direction.
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 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.
Acta crystallographica. Section E, Crystallographic communications, 2015
The asymmetric unit of the title compound, C18H17N3O2, comprises three independent mol-ecules (1, 2 and 3). In mol-ecule 1, the dihedral angles between the pyrazolone ring and the pendant phenyl and hydroxybenzene rings are 54.43 (6) and 28.72 (6)°, respectively. The corresponding data for mol-ecule 2 are 86.84 (6) and 25.69 (5)°, respectively, and for mol-ecule 3 are 47.41 (7) and 17.09 (7)°, respectively. The three mol-ecules feature an intra-molecular C-H⋯O inter-action, which closes an S(6) ring in each case. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, which generate [100] chains incorporating all three asymmetric mol-ecules. Two weak C-H⋯O interactions connect three independent molecules to each other along the c-axis direction.
Acta Crystallographica Section E Crystallographic Communications, 2015
In the title compound, C23H18N2O2, the pyrazole ring subtends dihedral angles of 2.01 (13) and 1.55 (10)° with the pendant benzene ring and the naphthalene ring system, respectively. The molecule is almost planar (r.m.s. deviation for the 27 non-H atoms = 0.025 Å) and intramolecular O—H...O and C—H...O hydrogen bonds both closeS(6) loops. In the crystal, very weak aromatic π–π stacking interactions between the benzene and the pyrazole rings, with centroid–centroid distances of 3.8913 (14) and 3.9285 (15) Å, are observed.