Information card for entry 7216500

Structure parameters

• Common name: none
• Chemical name: 4-aminobenzoic acid + 2-amino-4-methylpyridine
• Formula: C13 H15 N3 O2
• Calculated formula: C13 H15 N3 O2
• SMILES: O=C([O-])c1ccc(N)cc1.Nc1[nH+]ccc(c1)C
• Title of publication: Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation
• Authors of publication: Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 5802
• a: 5.5541 ± 0.0011 Å
• b: 8.5531 ± 0.0017 Å
• c: 25.38 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1205.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No