Information card for entry 2234114

Structure parameters

• Chemical name: <i>N</i>-(4-Chloro-3-nitrophenyl)succinamic acid
• Formula: C10 H9 Cl N2 O5
• Calculated formula: C10 H9 Cl N2 O5
• SMILES: c1(cc(c(cc1)Cl)N(=O)=O)NC(=O)CCC(=O)O
• Title of publication: <i>N</i>-(4-Chloro-3-nitrophenyl)succinamic acid
• Authors of publication: Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o951
• a: 4.8089 ± 0.0008 Å
• b: 10.278 ± 0.001 Å
• c: 23.062 ± 0.003 Å
• α: 90°
• β: 90.69 ± 0.02°
• γ: 90°
• Cell volume: 1139.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes