Information card for entry 2232175

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(3-methylphenyl)benzamide
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: c1(ccc(cc1)Cl)C(=O)Nc1cc(ccc1)C
• Title of publication: 4-Chloro-<i>N</i>-(3-methylphenyl)benzamide
• Authors of publication: Rodrigues, Vinola Z.; Fronc, Marek; Gowda, B. Thimme; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2903
• a: 13.4379 ± 0.0009 Å
• b: 10.2493 ± 0.0011 Å
• c: 9.26 ± 0.0007 Å
• α: 90°
• β: 92.893 ± 0.006°
• γ: 90°
• Cell volume: 1273.75 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0718
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes