Information card for entry 2218299

Structure parameters

• Chemical name: 4-Amino-2-methylquinoline monohydrate
• Formula: C10 H12 N2 O
• Calculated formula: C10 H12 N2 O
• SMILES: n1c(C)cc(N)c2ccccc12.O
• Title of publication: 4-Amino-2-methylquinoline monohydrate
• Authors of publication: Tai, Xi-Shi; Xu, Jun; Feng, Yi-Min; Liang, Zu-Pei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1026
• a: 4.7432 ± 0.0008 Å
• b: 13.907 ± 0.0013 Å
• c: 14.5129 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 957.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes