Information card for entry 2217904

Structure parameters

• Chemical name: 3-Methyl-<i>N</i>-phenylbenzamide
• Formula: C14 H13 N O
• Calculated formula: C14 H13 N O
• SMILES: O=C(Nc1ccccc1)c1cc(ccc1)C
• Title of publication: 3-Methyl-<i>N</i>-phenylbenzamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o770
• a: 16.947 ± 0.002 Å
• b: 15.531 ± 0.001 Å
• c: 8.623 ± 0.001 Å
• α: 90°
• β: 93.35 ± 0.01°
• γ: 90°
• Cell volume: 2265.7 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.1373
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.2051
• Weighted residual factors for all reflections included in the refinement: 0.2405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes