4-Benzoyl- N -methyl-1,5-diphenyl-1 H -pyrazole-3-carboxamide (original) (raw)

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 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.

5-Amino-1-phenyl-1H-pyrazole-4-carboxylic acid

Acta crystallographica. Section E, Structure reports online, 2008

Key indicators: single-crystal X-ray study; T = 150 K; mean (C-C) = 0.002 Å; R factor = 0.043; wR factor = 0.117; data-to-parameter ratio = 19.3. organic compounds o1312 Zia-ur-Rehman et al.

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.

3-Methyl-5-phenoxy-1-phenyl-1 H -pyrazole-4-carbaldehyde

Acta Crystallographica Section E Structure Reports Online, 2011

Key indicators: single-crystal X-ray study; T = 100 K; mean (C-C) = 0.001 Å; R factor = 0.044; wR factor = 0.127; data-to-parameter ratio = 34.6. organic compounds o2646 Shahani et al.

5-Cyclohexyl-4-methyl-1H-pyrazol-3(2H)-one monohydrate Tara Shahani, Hoong-Kun Fun, R. Venkat Ragavan, V. Vijayakumar and S. Sarveswari, Acta Cryst. (2010). E66, o2760-2761

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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