Information card for entry 2234528

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-(2,6-dimethylphenyl)benzamide
• Formula: C15 H14 Cl N O
• Calculated formula: C15 H14 Cl N O
• SMILES: c1(c(cccc1C)C)NC(=O)c1ccccc1Cl
• Title of publication: 2-Chloro-<i>N</i>-(2,6-dimethylphenyl)benzamide
• Authors of publication: Rodrigues, Vinola Z.; Gowda, B. Thimme; Sivý, Július; Vrábel, Viktor; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1408
• a: 4.8322 ± 0.0003 Å
• b: 12.7817 ± 0.001 Å
• c: 21.8544 ± 0.0012 Å
• α: 90°
• β: 90.778 ± 0.005°
• γ: 90°
• Cell volume: 1349.68 ± 0.15 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes