Information card for entry 7114802

Structure parameters

• Common name: N-2,6 dimethylphenyl 4 t-butylbenzamide
• Formula: C19 H23 N O
• Calculated formula: C19 H23 N O
• SMILES: O=C(Nc1c(cccc1C)C)c1ccc(cc1)C(C)(C)C
• Title of publication: Substituent effects on aromatic interactions in the solid state
• Authors of publication: Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 16
• Pages of publication: 1500
• a: 9.7512 ± 0.0014 Å
• b: 28.576 ± 0.004 Å
• c: 6.0247 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1678.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections: 0.1428
• Weighted residual factors for significantly intense reflections: 0.1419
• Goodness-of-fit parameter for all reflections: 1.173
• Goodness-of-fit parameter for significantly intense reflections: 1.174
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No