Information card for entry 2202462

Structure parameters

• Chemical name: 2,6-Dimethylpyridinium nitrate
• Formula: C7 H10 N2 O3
• Calculated formula: C7 H10 N2 O3
• SMILES: c1(cccc(C)[nH+]1)C.N(=O)(=O)[O-]
• Title of publication: 2,6-Dimethylpyridinium nitrate
• Authors of publication: Zhi Min Jin; Zu Guang Li; Mei Chao Li; Mao Lin Hu; Liang Shen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o903 - o904
• a: 15.918 ± 0.003 Å
• b: 7.56 ± 0.001 Å
• c: 15.924 ± 0.003 Å
• α: 90°
• β: 114.26 ± 0.01°
• γ: 90°
• Cell volume: 1747.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes