Information card for entry 2234519

Structure parameters

• Chemical name: 4,7-Dichloroquinoline
• Formula: C9 H5 Cl2 N
• Calculated formula: C9 H5 Cl2 N
• SMILES: Clc1ccnc2cc(Cl)ccc12
• Title of publication: 4,7-Dichloroquinoline
• Authors of publication: Kulkarni, Amol A.; King, Christopher; Butcher, Ray J.; Fortunak, Joseph M. D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1498
• a: 18.2243 ± 0.0017 Å
• b: 3.8253 ± 0.0005 Å
• c: 23.622 ± 0.003 Å
• α: 90°
• β: 96.61 ± 0.01°
• γ: 90°
• Cell volume: 1635.8 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.1271
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.272
• Weighted residual factors for all reflections included in the refinement: 0.3267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes