Information card for entry 2312526

Structure parameters

• Common name: 2-Amino-3-methylpyridinium 5-chlorosalicylate
• Chemical name: 2-Amino-3-methylpyridin-1-ium 5-chloro-2-hydroxybenzoate
• Formula: C13 H13 Cl N2 O3
• Calculated formula: C13 H13 Cl N2 O3
• Title of publication: Synthesis and structural investigation of salts of 2-amino-3-methylpyridine with carboxylic acid derivatives: an experimental and theoretical study.
• Authors of publication: Balasubramanian, Hemalatha; Ashraf, Aarifa Muhammed; Karuppannan, Srikanth; Poomani, Kumaradhas
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 7
• Pages of publication: 302 - 310
• a: 11.7399 ± 0.0002 Å
• b: 8.3731 ± 0.0001 Å
• c: 13.6779 ± 0.0002 Å
• α: 90°
• β: 106.782 ± 0.001°
• γ: 90°
• Cell volume: 1287.27 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes