Information card for entry 2233916

Structure parameters

• Chemical name: <i>N</i>-(4-Methyl-2-nitrophenyl)succinamic acid
• Formula: C11 H12 N2 O5
• Calculated formula: C11 H12 N2 O5
• SMILES: c1(c(cc(cc1)C)N(=O)=O)NC(=O)CCC(=O)O
• Title of publication: <i>N</i>-(4-Methyl-2-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: 3
• Pages of publication: o819
• a: 4.8531 ± 0.0007 Å
• b: 11.015 ± 0.002 Å
• c: 11.787 ± 0.002 Å
• α: 69.59 ± 0.01°
• β: 78.77 ± 0.01°
• γ: 83.62 ± 0.02°
• Cell volume: 578.59 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1187
• 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