Information card for entry 2237180

Structure parameters

• Common name: 2-Amino-5-methylpyridinium 5-chlorosalicylate
• Chemical name: 2-Amino-5-methylpyridinium 2-hydroxy-5-chlorobenzoate
• Formula: C13 H13 Cl N2 O3
• Calculated formula: C13 H13 Cl N2 O3
• SMILES: Clc1ccc(O)c(c1)C(=O)[O-].[nH+]1c(N)ccc(c1)C
• Title of publication: 2-Amino-5-methylpyridinium 2-hydroxy-5-chlorobenzoate
• Authors of publication: Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Arshad, Suhana; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o132 - o133
• a: 9.004 ± 0.007 Å
• b: 5.767 ± 0.005 Å
• c: 12.617 ± 0.01 Å
• α: 90°
• β: 90.415 ± 0.016°
• γ: 90°
• Cell volume: 655.1 ± 0.9 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes