Information card for entry 2229531

Structure parameters

• Chemical name: <i>N</i>,4-Dimethylbenzamide
• Formula: C9 H11 N O
• Calculated formula: C9 H11 N O
• SMILES: O=C(NC)c1ccc(C)cc1
• Title of publication: <i>N</i>,4-Dimethylbenzamide
• Authors of publication: Xu, Jia-Ying; Cheng, Wei-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o557
• a: 6.767 ± 0.0014 Å
• b: 9.946 ± 0.002 Å
• c: 12.229 ± 0.002 Å
• α: 90°
• β: 92.63 ± 0.03°
• γ: 90°
• Cell volume: 822.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes