Information card for entry 2225790

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(3,4-dimethylphenyl)benzamide
• Formula: C15 H14 Cl N O
• Calculated formula: C15 H14 Cl N O
• SMILES: c1(cc(c(cc1)C)C)NC(=O)c1ccc(cc1)Cl
• Title of publication: 4-Chloro-<i>N</i>-(3,4-dimethylphenyl)benzamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Rodrigues, Vinola Z.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1204
• a: 9.55 ± 0.001 Å
• b: 10.104 ± 0.002 Å
• c: 28.133 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2714.6 ± 0.7 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1575
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes