Information card for entry 2219618

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-<i>o</i>-tolylbenzamide
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: Clc1ccc(cc1)C(=O)Nc1ccccc1C
• Title of publication: 4-Chloro-<i>N</i>-<i>o</i>-tolylbenzamide
• Authors of publication: Saeed, Aamer; Khera, Rasheed Ahmad; Abbas, Naeem; Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o2043
• a: 10.7906 ± 0.0014 Å
• b: 4.8793 ± 0.0006 Å
• c: 23.522 ± 0.003 Å
• α: 90°
• β: 98.125 ± 0.003°
• γ: 90°
• Cell volume: 1226 ± 0.3 ų
• Cell temperature: 223 ± 1 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: 0.1054
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes