Information card for entry 2231886

Structure parameters

• Chemical name: 2-Amino-4,6-dimethylpyridinium chloride dihydrate
• Formula: C7 H15 Cl N2 O2
• Calculated formula: C7 H15 Cl N2 O2
• SMILES: O.O.[Cl-].c1c(C)[nH+]c(cc1C)N
• Title of publication: 2-Amino-4,6-dimethylpyridinium chloride dihydrate
• Authors of publication: Al-Dajani, Mohammad T. M.; Talaat, Jamal; Salhin, Abdusalam; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2572
• a: 7.5811 ± 0.0006 Å
• b: 13.8149 ± 0.0011 Å
• c: 10.6657 ± 0.0008 Å
• α: 90°
• β: 109.261 ± 0.002°
• γ: 90°
• Cell volume: 1054.52 ± 0.14 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: 0.0642
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes