Information card for entry 2218889

Structure parameters

• Chemical name: 5-(Chloromethyl)quinolin-8-yl acetate
• Formula: C12 H10 Cl N O2
• Calculated formula: C12 H10 Cl N O2
• SMILES: ClCc1c2cccnc2c(OC(=O)C)cc1
• Title of publication: 5-(Chloromethyl)quinolin-8-yl acetate
• Authors of publication: Kong, Ling-Qian; Qiao, Yan; Zhang, Ji-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1519
• a: 9.2299 ± 0.001 Å
• b: 11.0042 ± 0.0013 Å
• c: 11.2429 ± 0.0013 Å
• α: 105.073 ± 0.004°
• β: 94.105 ± 0.001°
• γ: 90.815 ± 0.002°
• Cell volume: 1099.2 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes