Information card for entry 2223373

Structure parameters

• Chemical name: 2,4-Dichloro-<i>N</i>-<i>p</i>-tolylbenzamide
• Formula: C14 H11 Cl2 N O
• Calculated formula: C14 H11 Cl2 N O
• SMILES: C(=O)(c1c(cc(cc1)Cl)Cl)Nc1ccc(cc1)C
• Title of publication: 2,4-Dichloro-<i>N</i>-<i>p</i>-tolylbenzamide
• Authors of publication: Saeed, Aamer; Khera, Rasheed Ahmad; Rafique, Hummera; Simpson, Jim; Stanley, Roderick G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2527
• a: 9.0884 ± 0.0018 Å
• b: 9.825 ± 0.002 Å
• c: 14.167 ± 0.003 Å
• α: 90°
• β: 94.208 ± 0.009°
• γ: 90°
• Cell volume: 1261.6 ± 0.4 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes