Information card for entry 7216492

Structure parameters

• Common name: none
• Chemical name: 4-aminobenzoic acid + 2-acetaminopyridine
• Formula: C14 H15 N3 O3
• Calculated formula: C14 H15 N3 O3
• SMILES: O=C(O)c1ccc(N)cc1.n1c(NC(=O)C)cccc1
• 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: 14.8642 ± 0.0011 Å
• b: 18.5544 ± 0.0015 Å
• c: 4.7094 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1298.84 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No