Information card for entry 2217119

Structure parameters

• Chemical name: (E)-5-Phenyl-N'-(1-phenylethylidene)-1H-pyrazole-3-carbohydrazide
• Formula: C18 H16 N4 O
• Calculated formula: C18 H16 N4 O
• SMILES: O=C(N\N=C(c1ccccc1)/C)c1n[nH]c(c1)c1ccccc1
• Title of publication: (<i>E</i>)-5-Phenyl-<i>N</i>'-(1-phenylethylidene)-1<i>H</i>-pyrazole-3-carbohydrazide
• Authors of publication: Yongqi Qin; Fangfang Jian; Hailian Xiao; Jing Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o320 - o320
• a: 8.019 ± 0.0011 Å
• b: 8.019 ± 0.0011 Å
• c: 24.147 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1552.8 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes