Information card for entry 2224569

Structure parameters

• Chemical name: 2-Chloro-3-hydroxymethyl-6-methoxyquinoline
• Formula: C11 H10 Cl N O2
• Calculated formula: C11 H10 Cl N O2
• SMILES: Clc1nc2c(cc1CO)cc(OC)cc2
• Title of publication: 2-Chloro-3-hydroxymethyl-6-methoxyquinoline
• 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: o201
• a: 6.9738 ± 0.0003 Å
• b: 21.4668 ± 0.0009 Å
• c: 7.3479 ± 0.0004 Å
• α: 90°
• β: 108.22 ± 0.005°
• γ: 90°
• Cell volume: 1044.87 ± 0.09 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes