Information card for entry 2013808

Structure parameters

• Common name: N-(4-Nitrophenyl)benzamide-2-carboxylic acid, monoclinic polymorph
• Chemical name: 2-(4-nitrophenylaminocarbonyl)benzoic acid
• Formula: C14 H10 N2 O5
• Calculated formula: C14 H10 N2 O5
• SMILES: c1(c(cccc1)C(=O)O)C(=O)Nc1ccc(cc1)N(=O)=O
• Title of publication: π-Stacked hydrogen-bonded dimers in 2-(2-nitrophenylaminocarbonyl)benzoic acid, and hydrogen-bonded sheets in orthorhombic and monoclinic polymorphs of 2-(4-nitrophenylaminocarbonyl)benzoic acid
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o120 - o124
• a: 10.2098 ± 0.001 Å
• b: 9.3749 ± 0.0008 Å
• c: 27.409 ± 0.002 Å
• α: 90°
• β: 100.578 ± 0.004°
• γ: 90°
• Cell volume: 2578.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.165
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes