Information card for entry 2212922

Structure parameters

• Chemical name: 2'-[(Phenyl)(1-phenyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-ylidene)methyl]- 1-naphthohydrazide
• Formula: C28 H22 N4 O2
• Calculated formula: C28 H22 N4 O2
• SMILES: O=C(NN\C(=C1/C(=O)N(N=C1C)c1ccccc1)c1ccccc1)c1cccc2ccccc12
• Title of publication: 2'-[(Phenyl)(1-phenyl-3-methyl-5-oxo-4,5-dihydro-1<i>H</i>-pyrazole-4-ylidene)methyl]-1-naphthohydrazide
• Authors of publication: Yi-Feng Sun; Xian-Zhong Sun; Dong-Di Zhang; Yi-Ping Cui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o2005 - o2006
• a: 8.243 ± 0.0005 Å
• b: 21.8718 ± 0.0013 Å
• c: 12.9224 ± 0.0008 Å
• α: 90°
• β: 98.533 ± 0.002°
• γ: 90°
• Cell volume: 2304 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes