Information card for entry 2014383

Structure parameters

• Chemical name: 2-(3-nitrophenylaminocarbonyl)benzoic acid
• Formula: C14 H10 N2 O5
• Calculated formula: C14 H10 N2 O5
• SMILES: O=C(Nc1cc(N(=O)=O)ccc1)c1c(cccc1)C(=O)O
• Title of publication: 2-(3-Nitrophenylaminocarbonyl)benzoic acid: hydrogen-bonded sheets of <i>R</i>~4~^4^(22) rings
• 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: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o5 - o7
• a: 4.0511 ± 0.0009 Å
• b: 12.076 ± 0.003 Å
• c: 12.771 ± 0.003 Å
• α: 90°
• β: 90.287 ± 0.012°
• γ: 90°
• Cell volume: 624.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes