Information card for entry 2212874

Structure parameters

• Chemical name: 5-(4-Chlorophenyl)-3-(4-nitrophenyl)-1-phenyl-2-pyrazoline
• Formula: C21 H16 Cl N3 O2
• Calculated formula: C21 H16 Cl N3 O2
• SMILES: Clc1ccc(C2N(N=C(c3ccc(N(=O)=O)cc3)C2)c2ccccc2)cc1
• Title of publication: 5-(4-Chlorophenyl)-3-(4-nitrophenyl)-1-phenyl-2-pyrazoline
• Authors of publication: Huan-Mei Guo; Fang-Fang Jian; Yu-Feng Li; Cui-Hua Lin; Qian Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1814 - o1815
• a: 8.165 ± 0.004 Å
• b: 10.785 ± 0.006 Å
• c: 12.054 ± 0.007 Å
• α: 111.573 ± 0.009°
• β: 109.112 ± 0.009°
• γ: 93.92 ± 0.009°
• Cell volume: 910.9 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0731
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes