Information card for entry 2209293

Structure parameters

• Chemical name: 5-Chloro-4-(2-chlorobenzoylhydrazino)methylidene-3-methyl-1-phenyl-1H-pyrazole
• Formula: C18 H14 Cl2 N4 O
• Calculated formula: C18 H14 Cl2 N4 O
• SMILES: Clc1ccccc1C(=O)N/N=C/c1c(nn(c1Cl)c1ccccc1)C
• Title of publication: 5-Chloro-4-[(2-chlorobenzoylhydrazono)methyl]-3-methyl-1-phenyl-1<i>H</i>-pyrazole
• Authors of publication: Li-Rong Wen; Wen-Ying Qi; Zheng-Quan Zuo; Ming Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2516 - o2517
• a: 28.01 ± 0.02 Å
• b: 6.199 ± 0.005 Å
• c: 23.535 ± 0.018 Å
• α: 90°
• β: 119.199 ± 0.009°
• γ: 90°
• Cell volume: 3567 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes