Information card for entry 2221209

Structure parameters

• Chemical name: 4-[(2-Benzoyl-4-chlorophenyl)diazenyl]-3-methyl-1-phenyl-1<i>H</i>-pyrazol- 5(4<i>H</i>)-one
• Formula: C23 H17 Cl N4 O2
• Calculated formula: C23 H17 Cl N4 O2
• SMILES: Clc1ccc(N/N=C/2C(=O)N(N=C2C)c2ccccc2)c(c1)C(=O)c1ccccc1
• Title of publication: 4-[(2-Benzoyl-4-chlorophenyl)diazenyl]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Bahreni, Zaker; Rahmani, Hossein; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o510
• a: 25.8 ± 0.003 Å
• b: 12.124 ± 0.001 Å
• c: 13.966 ± 0.001 Å
• α: 90°
• β: 119.179 ± 0.001°
• γ: 90°
• Cell volume: 3814.2 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes