Information card for entry 2240982

Structure parameters

• Common name: 2,5-Dimethylanilinium salicylate
• Chemical name: 2,5-Dimethylanilinium 2-hydroxybenzoate
• Formula: C15 H17 N O3
• Calculated formula: C15 H17 N O3
• SMILES: c1(ccccc1O)C(=O)[O-].c1(cc(ccc1C)C)[NH3+]
• Title of publication: Crystal structure of 2,5-dimethylanilinium salicylate
• Authors of publication: Mani, A.; Kumar, P. Praveen; Chakkaravarthi, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: o643 - o644
• a: 6.9645 ± 0.0005 Å
• b: 20.6924 ± 0.0014 Å
• c: 9.292 ± 0.0007 Å
• α: 90°
• β: 95.738 ± 0.003°
• γ: 90°
• Cell volume: 1332.38 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0759
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes