Information card for entry 2240584

Structure parameters

• Chemical name: 3-Bromomethyl-2-chloro-6-(dibromomethyl)quinoline
• Formula: C11 H7 Br3 Cl N
• Calculated formula: C11 H7 Br3 Cl N
• SMILES: BrCc1c(Cl)nc2c(c1)cc(cc2)C(Br)Br
• Title of publication: Crystal structure of 3-bromomethyl-2-chloro-6-(dibromomethyl)quinoline
• Authors of publication: Gayathri, Kasirajan; Mohan, Palathurai S.; Howard, Judith A. K.; Sparkes, Hazel A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o354 - o355
• a: 8.9042 ± 0.0005 Å
• b: 9.3375 ± 0.0004 Å
• c: 15.5107 ± 0.0007 Å
• α: 90°
• β: 104.553 ± 0.005°
• γ: 90°
• Cell volume: 1248.23 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes