Information card for entry 2225939

Structure parameters

• Chemical name: Methyl <i>N</i>-(2,3-dichlorophenyl)succinamate
• Formula: C11 H11 Cl2 N O3
• Calculated formula: C11 H11 Cl2 N O3
• SMILES: COC(=O)CCC(=O)Nc1cccc(c1Cl)Cl
• Title of publication: Methyl <i>N</i>-(2,3-dichlorophenyl)succinamate
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1176
• a: 4.7356 ± 0.0005 Å
• b: 15.868 ± 0.001 Å
• c: 17.158 ± 0.002 Å
• α: 80.748 ± 0.008°
• β: 88.869 ± 0.008°
• γ: 82.35 ± 0.008°
• Cell volume: 1261.2 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes