Information card for entry 2244037

Structure parameters

• Chemical name: <i>N</i>-(4-Methoxyphenyl)benzamide
• Formula: C14 H13 N O2
• Calculated formula: C14 H13 N O2
• SMILES: COc1ccc(cc1)NC(=O)c1ccccc1
• Title of publication: Crystal structures of <i>N</i>-[4-(trifluoromethyl)phenyl]benzamide and <i>N</i>-(4-methoxyphenyl)benzamide at 173K: a study of the energetics of conformational changes due to crystal packing
• Authors of publication: Pearson, Wayne H.; Urban, Joseph J.; MacArthur, Amy H. Roy; Lin, Shirley; Cabrera, Dylan W. L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 3
• a: 26.783 ± 0.0015 Å
• b: 5.2477 ± 0.0003 Å
• c: 8.1343 ± 0.0005 Å
• α: 90°
• β: 97.594 ± 0.002°
• γ: 90°
• Cell volume: 1133.24 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes