Information card for entry 2240404

Structure parameters

• Chemical name: 4-Aminobenzoic acid‒4-methylpyridine (1/1)
• Formula: C13 H14 N2 O2
• Calculated formula: C13 H14 N2 O2
• SMILES: c1(ccc(cc1)C(=O)O)N.c1cc(ccn1)C
• Title of publication: Crystal structure of 4-aminobenzoic acid‒4-methylpyridine (1/1)
• Authors of publication: Kumar, M. Krishna; Pandi, P.; Sudhahar, S.; Chakkaravarthi, G.; Kumar, R. Mohan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o125 - o126
• a: 7.597 ± 0.0007 Å
• b: 11.6665 ± 0.0012 Å
• c: 7.6754 ± 0.0008 Å
• α: 90°
• β: 114.2 ± 0.003°
• γ: 90°
• Cell volume: 620.49 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes