Information card for entry 2235124

Structure parameters

• Chemical name: <i>N</i>-(4-Bromophenyl)-3,4,5-trimethoxybenzamide
• Formula: C16 H16 Br N O4
• Calculated formula: C16 H16 Br N O4
• SMILES: Brc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
• Title of publication: <i>N</i>-(4-Bromophenyl)-3,4,5-trimethoxybenzamide
• Authors of publication: Gu, Wen; Qiao, Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1658
• a: 9.586 ± 0.0019 Å
• b: 26.01 ± 0.005 Å
• c: 7.139 ± 0.0014 Å
• α: 90°
• β: 112.04 ± 0.03°
• γ: 90°
• Cell volume: 1649.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes