Information card for entry 2225579

Structure parameters

• Chemical name: 2-methyl-<i>N</i>-<i>p</i>-tolylbenzamide
• Formula: C15 H15 N O
• Calculated formula: C15 H15 N O
• SMILES: N(C(=O)c1c(C)cccc1)c1ccc(C)cc1
• Title of publication: 2-Methyl-<i>N</i>-<i>p</i>-tolylbenzamide: a second monoclinic polymorph
• Authors of publication: Saeed, Aamer; Khera, Rasheed Ahmad; Simpson, Jim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o911 - o912
• a: 20.259 ± 0.003 Å
• b: 7.0681 ± 0.001 Å
• c: 8.7941 ± 0.0013 Å
• α: 90°
• β: 95.942 ± 0.009°
• γ: 90°
• Cell volume: 1252.5 ± 0.3 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 4
• 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: 0.052
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes