Information card for entry 2232583

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-phenylbenzamide
• Formula: C13 H10 Cl N O
• Calculated formula: C13 H10 Cl N O
• SMILES: C(=O)(c1ccc(cc1)Cl)Nc1ccccc1
• Title of publication: 4-Chloro-<i>N</i>-phenylbenzamide
• Authors of publication: Rodrigues, Vinola Z.; Kucková, Lenka; 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: o3171
• a: 5.3934 ± 0.0003 Å
• b: 7.7679 ± 0.0005 Å
• c: 13.7831 ± 0.0008 Å
• α: 105.887 ± 0.005°
• β: 100.849 ± 0.004°
• γ: 90.023 ± 0.004°
• Cell volume: 544.64 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes