Information card for entry 2016127

Structure parameters

• Common name: p-aminobenzoic acid
• Chemical name: 4-Aminobenzoic acid
• Formula: C7 H7 N O2
• Calculated formula: C7 H7 N O2
• SMILES: c1(C(=O)O)ccc(N)cc1
• Title of publication: 4-Carboxyanilinium (2<i>R</i>,3<i>R</i>)-tartrate and a redetermination of the α-polymorph of 4-aminobenzoic acid
• Authors of publication: S. Athimoolam; S. Natarajan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o514 - o517
• a: 18.5712 ± 0.0008 Å
• b: 3.8431 ± 0.0003 Å
• c: 18.6321 ± 0.0009 Å
• α: 90°
• β: 93.67 ± 0.011°
• γ: 90°
• Cell volume: 1327.06 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1072
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes