Information card for entry 2233972

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(3,5-dimethylphenyl)benzamide
• Formula: C15 H14 Cl N O
• Calculated formula: C15 H14 Cl N O
• SMILES: c1(ccc(cc1)Cl)C(=O)Nc1cc(cc(c1)C)C
• Title of publication: 4-Chloro-<i>N</i>-(3,5-dimethylphenyl)benzamide
• Authors of publication: Rodrigues, Vinola Z.; Gowda, B. Thimme; Vrábel, Viktor; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o820
• a: 14.2763 ± 0.0007 Å
• b: 10.7038 ± 0.0006 Å
• c: 9.5245 ± 0.0004 Å
• α: 90°
• β: 108.087 ± 0.005°
• γ: 90°
• Cell volume: 1383.53 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0782
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes