Information card for entry 2209982

Structure parameters

• Chemical name: N'-(2,3-Dimethoxybenzylidene)-5-methyl-1-phenyl-1H-pyrazole-4-carbohydrazide
• Formula: C20 H20 N4 O3
• Calculated formula: C20 H20 N4 O3
• SMILES: O=C(N/N=C/c1cccc(OC)c1OC)c1c(n(nc1)c1ccccc1)C
• Title of publication: <i>N</i>'-(2,3-Dimethoxybenzylidene)-5-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbohydrazide
• Authors of publication: Shu-Wen Wang; Li-Rong Wen; Yan-Fang Miao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3471 - o3472
• a: 6.962 ± 0.002 Å
• b: 16.343 ± 0.005 Å
• c: 16.934 ± 0.005 Å
• α: 90°
• β: 101.803 ± 0.006°
• γ: 90°
• Cell volume: 1886 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1686
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes