Information card for entry 7216502

Structure parameters

• Common name: none
• Chemical name: 4-methoxybenzoic acid + 2-amino-4-methylpyridine
• Formula: C14 H16 N2 O3
• Calculated formula: C14 H16 N2 O3
• SMILES: O=C([O-])c1ccc(OC)cc1.[nH+]1c(N)cc(cc1)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: 10.337 ± 0.002 Å
• b: 11.727 ± 0.002 Å
• c: 11.031 ± 0.002 Å
• α: 90°
• β: 105.53 ± 0.03°
• γ: 90°
• Cell volume: 1288.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No