Information card for entry 2232932

Structure parameters

• Chemical name: {5-Chloro-2-[(4-nitrobenzylidene)amino]phenyl}(phenyl)methanone
• Formula: C20 H13 Cl N2 O3
• Calculated formula: C20 H13 Cl N2 O3
• SMILES: Clc1cc(C(=O)c2ccccc2)c(/N=C/c2ccc(N(=O)=O)cc2)cc1
• Title of publication: {5-Chloro-2-[(4-nitrobenzylidene)amino]phenyl}(phenyl)methanone
• Authors of publication: Aslam, M.; Anis, I.; Afza, N.; Nelofar, A.; Yousuf, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3215
• a: 7.231 ± 0.002 Å
• b: 20.235 ± 0.006 Å
• c: 11.942 ± 0.004 Å
• α: 90°
• β: 98.03 ± 0.006°
• γ: 90°
• Cell volume: 1730.2 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0836
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes