Information card for entry 2218917

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenyl)-3,4,5-trimethoxybenzamide
• Formula: C16 H16 Cl N O4
• Calculated formula: C16 H16 Cl N O4
• SMILES: Clc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
• Title of publication: <i>N</i>-(4-Chlorophenyl)-3,4,5-trimethoxybenzamide
• Authors of publication: Saeed, Aamer; Khera, Rasheed Ahmad; Batool, Mahira; Shaheen, Uzma; Flörke, Ulrich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1625
• a: 9.487 ± 0.002 Å
• b: 25.666 ± 0.006 Å
• c: 6.9781 ± 0.0015 Å
• α: 90°
• β: 112.34 ± 0.005°
• γ: 90°
• Cell volume: 1571.6 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes