Information card for entry 2209138

Structure parameters

• Chemical name: 5-Chloro-1-(4-chlorophenyl)-4-(2-methoxybenzoylhydrazonomethyl)- 3-methyl-1H-pyrazole
• Formula: C19 H16 Cl2 N4 O2
• Calculated formula: C19 H16 Cl2 N4 O2
• SMILES: Clc1ccc(n2nc(c(c2Cl)C=NNC(=O)c2c(OC)cccc2)C)cc1
• Title of publication: 5-Chloro-1-(4-chlorophenyl)-4-(2-methoxybenzoylhydrazonomethyl)-3-methyl-1<i>H</i>-pyrazole
• Authors of publication: Li-Rong Wen; Li-Na Zhai; Peng Liu; Ming Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2361 - o2362
• a: 9.3332 ± 0.001 Å
• b: 16.7115 ± 0.0019 Å
• c: 12.3865 ± 0.0014 Å
• α: 90°
• β: 101.839 ± 0.002°
• γ: 90°
• Cell volume: 1890.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes