Information card for entry 2234532

Structure parameters

• Chemical name: Dimethylammonium 4-hydroxybenzoate
• Formula: C9 H13 N O3
• Calculated formula: C9 H13 N O3
• SMILES: c1(ccc(cc1)O)C(=O)[O-].C[NH2+]C
• Title of publication: Dimethylammonium 4-hydroxybenzoate
• Authors of publication: Sornamurthy, B. M.; Peramaiyan, G.; Chakkaravarthi, G.; Kumar, R. Mohan; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1445
• a: 10.298 ± 0.0008 Å
• b: 10.0586 ± 0.0009 Å
• c: 19.2595 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1995 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes