Information card for entry 2232598

Structure parameters

• Chemical name: 3-Chloro-<i>N</i>-(3-methylphenyl)benzamide
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: C(=O)(c1cc(ccc1)Cl)Nc1cc(ccc1)C
• Title of publication: 3-Chloro-<i>N</i>-(3-methylphenyl)benzamide
• 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: o3277
• a: 9.4032 ± 0.0003 Å
• b: 10.0963 ± 0.0002 Å
• c: 25.9904 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2467.46 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1418
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes