Information card for entry 2236206

Structure parameters

• Chemical name: (<i>Z</i>)-4-[(2-Amino-4,5-dichloroanilino)(phenyl)methylidene]-3-methyl-1- phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Formula: C23 H18 Cl2 N4 O
• Calculated formula: C23 H18 Cl2 N4 O
• SMILES: Clc1cc(c(N/C(c2ccccc2)=C2/C(=NN(c3ccccc3)C2=O)C)cc1Cl)N
• Title of publication: (<i>Z</i>)-4-[(2-Amino-4,5-dichloroanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Zou, Dan; Lü, Xingqiang; Zhao, Shunsheng; Liu, Xiangrong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3148
• a: 8.0653 ± 0.0016 Å
• b: 10.931 ± 0.002 Å
• c: 13.851 ± 0.003 Å
• α: 111.627 ± 0.003°
• β: 90.775 ± 0.003°
• γ: 110.226 ± 0.003°
• Cell volume: 1051.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes