Information card for entry 7218609

Structure parameters

• Formula: C7 H7 N O2
• Calculated formula: C7 H7 N O2
• SMILES: c1c(ccc(c1)N)C(=O)O
• Title of publication: Concerning the crystal morphologies of the α and β polymorphs of p-aminobenzoic acid
• Authors of publication: Sullivan, Rachel A.; Davey, Roger J.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 5
• Pages of publication: 1015
• a: 18.562 ± 0.0011 Å
• b: 3.732 ± 0.0002 Å
• c: 18.568 ± 0.0012 Å
• α: 90°
• β: 93.993 ± 0.006°
• γ: 90°
• Cell volume: 1283.15 ± 0.13 ų
• Cell temperature: 101.15 ± 0.1 K
• Ambient diffraction temperature: 101.15 ± 0.1 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: 0.072612
• Residual factor for significantly intense reflections: 0.051566
• Weighted residual factors for all reflections included in the refinement: 0.134828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07268
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No