Information card for entry 2208380

Structure parameters

• Chemical name: 2,6-dichlorobenzamide
• Formula: C7 H5 Cl2 N O
• Calculated formula: C7 H5 Cl2 N O
• SMILES: Clc1c(c(Cl)ccc1)C(=O)N
• Title of publication: 2,6-Dichlorobenzamide
• Authors of publication: Rauf, M. Khawar; Badshah, Amin; Bolte, Michael; Saeed, Aamer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1070 - o1071
• a: 12.7941 ± 0.0009 Å
• b: 13.5868 ± 0.0008 Å
• c: 9.5283 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1656.31 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes