Information card for entry 7209940

Structure parameters

• Common name: 2-aminobenzoic acid 4-phenylpyridine
• Chemical name: 2-aminobenzoic acid 4-phenylpyridine
• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: OC(=O)c1c(N)cccc1.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: 7.5472 ± 0.0009 Å
• b: 10.0169 ± 0.0012 Å
• c: 19.516 ± 0.003 Å
• α: 90°
• β: 92.845 ± 0.006°
• γ: 90°
• Cell volume: 1473.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No