Information card for entry 7209935

Structure parameters

• Common name: 4-aminobenzoic acid 4-phenylpyridine
• Chemical name: 4-aminobenzoic acid 4-phenylpyridine
• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: Nc1ccc(cc1)C(=O)O.n1ccc(cc1)c1ccccc1
• Title of publication: Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer
• Authors of publication: Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 26
• Pages of publication: 5250
• a: 8.1839 ± 0.0002 Å
• b: 10.88 ± 0.0003 Å
• c: 19.2168 ± 0.0005 Å
• α: 73.589 ± 0.001°
• β: 83.558 ± 0.001°
• γ: 68.897 ± 0.001°
• Cell volume: 1531.19 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No