Information card for entry 2224568

Structure parameters

• Chemical name: 2-Chloro-3-hydroxymethyl-7,8-dimethylquinoline
• Formula: C12 H12 Cl N O
• Calculated formula: C12 H12 Cl N O
• Title of publication: 2-Chloro-3-hydroxymethyl-7,8-dimethylquinoline
• Authors of publication: Khan, F. Nawaz; Mohana Roopan, S; Hathwar, Venkatesha R.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o200
• a: 17.4492 ± 0.0012 Å
• b: 4.6271 ± 0.0002 Å
• c: 14.3773 ± 0.0007 Å
• α: 90°
• β: 113.297 ± 0.007°
• γ: 90°
• Cell volume: 1066.17 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes