Information card for entry 2210467

Structure parameters

• Chemical name: 2'-(4-Methylbenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide
• Formula: C18 H16 N4 O
• Calculated formula: C18 H16 N4 O
• SMILES: O=C(N/N=C/c1ccc(cc1)C)c1n[nH]c(c2ccccc2)c1
• Title of publication: 2'-(4-Methylbenzylidene)-5-phenyl-1<i>H</i>-pyrazole-3-carbohydrazide
• Authors of publication: Fang-Fang Jian; Tong-Ling liang; Ying-Qi Qin; Huan-Qing Yu; Hai-Lian Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4364 - o4365
• a: 18.28 ± 0.004 Å
• b: 14.79 ± 0.003 Å
• c: 13.364 ± 0.003 Å
• α: 90°
• β: 106.27 ± 0.03°
• γ: 90°
• Cell volume: 3468.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes