Information card for entry 2231229

Structure parameters

• Chemical name: 2-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)c1c(cccc1)Cl
• Title of publication: 2-Chloro-<i>N</i>-(3,4-dimethylphenyl)benzamide
• Authors of publication: Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2019
• a: 20.893 ± 0.002 Å
• b: 7.259 ± 0.001 Å
• c: 8.97 ± 0.001 Å
• α: 90°
• β: 91.95 ± 0.01°
• γ: 90°
• Cell volume: 1359.6 ± 0.3 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: 0.1192
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes