Information card for entry 2006769

Structure parameters

• Chemical name: 5-Amino-1,6-dimethyl-quinol-2-one Monohydrate
• Formula: C11 H14 N2 O2
• Calculated formula: C11 H14 N2 O2
• SMILES: n1(c(=O)ccc2c(c(ccc12)C)N)C.O
• Title of publication: 5-Amino-1,6-dimethyl-1,2-dihydroquinolin-2-one Monohydrate
• Authors of publication: Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1855 - 1857
• a: 9.233 ± 0.001 Å
• b: 15.283 ± 0.001 Å
• c: 7.448 ± 0.001 Å
• α: 90°
• β: 98.08 ± 0.01°
• γ: 90°
• Cell volume: 1040.54 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.1267
• Weighted residual factors for significantly intense reflections: 0.1208
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No