Information card for entry 1569935

Structure parameters

• Common name: 4-Amino-3,5-dichloropyridinium 3-hydroxypicolinate monohydrate
• Chemical name: 4-Amino-3,5-dichloropyridinium 3-hydroxypyridine-2-carboxylate monohydrate
• Formula: C11 H11 Cl2 N3 O4
• Calculated formula: C11 H11 Cl2 N3 O4
• Title of publication: 4-Amino-3,5-dichloropyridinium 3-hydroxypicolinate monohydrate
• Authors of publication: Ashokan, Agalya; Nehru, Jayasudha; Chakkarapani, Nandhini; Khamrang, Themmila; Kavitha, Savaridasan Jose; Rajakannan, Venkatachalam; Hemamalini, Madhukar
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 9
• a: 8.4267 ± 0.0019 Å
• b: 14.084 ± 0.003 Å
• c: 10.9 ± 0.002 Å
• α: 90°
• β: 91.953 ± 0.008°
• γ: 90°
• Cell volume: 1292.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No