Information card for entry 2220316

Structure parameters

• Chemical name: 2-(4-Dimethylamino-2-hydroxybenzoyl)benzoic acid methanol solvate
• Formula: C17 H19 N O5
• Calculated formula: C17 H19 N O5
• SMILES: Oc1c(ccc(N(C)C)c1)C(=O)c1ccccc1C(=O)O.OC
• Title of publication: 2-(4-Dimethylamino-2-hydroxybenzoyl)benzoic acid methanol solvate
• Authors of publication: Guo, Jin-Chun; Liu, Qing-Hao; Guo, Jin-Ying; Chen, Mei-Zhu; Zhang, Rui-Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2419
• a: 7.1438 ± 0.0014 Å
• b: 7.3021 ± 0.0015 Å
• c: 16.613 ± 0.003 Å
• α: 83.92 ± 0.03°
• β: 80.21 ± 0.03°
• γ: 64.94 ± 0.03°
• Cell volume: 773 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes