Information card for entry 2232640

Structure parameters

• Chemical name: 3-Chloro-<i>N</i>-phenylbenzamide
• Formula: C13 H10 Cl N O
• Calculated formula: C13 H10 Cl N O
• SMILES: C(=O)(c1cc(ccc1)Cl)Nc1ccccc1
• Title of publication: 3-Chloro-<i>N</i>-phenylbenzamide
• Authors of publication: Rodrigues, Vinola Z.; Herich, Peter; Gowda, B. Thimme; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3329
• a: 25.0232 ± 0.0009 Å
• b: 5.3705 ± 0.0002 Å
• c: 8.1289 ± 0.0003 Å
• α: 90°
• β: 98.537 ± 0.003°
• γ: 90°
• Cell volume: 1080.32 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes