Information card for entry 2222006

Structure parameters

• Chemical name: 4-Amino-2,3,5-trimethylpyridine monohydrate
• Formula: C8 H14 N2 O
• Calculated formula: C8 H14 N2 O
• SMILES: O.n1c(c(c(N)c(c1)C)C)C
• Title of publication: 4-Amino-2,3,5-trimethylpyridine monohydrate
• Authors of publication: Dai, Li-Yan; Zhang, Fu-Liang; Shen, Liang; Chen, Ying-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1329
• a: 19.571 ± 0.0009 Å
• b: 19.571 ± 0.0009 Å
• c: 4.8819 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1869.89 ± 0.14 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes