Information card for entry 2226039

Structure parameters

• Chemical name: 2,4-Dichloroquinoline
• Formula: C9 H5 Cl2 N
• Calculated formula: C9 H5 Cl2 N
• SMILES: Clc1cc(Cl)c2c(n1)cccc2
• Title of publication: 2,4-Dichloroquinoline
• Authors of publication: Kimmel, Roman; Nečas, Marek; Vícha, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1261
• a: 10.3689 ± 0.0003 Å
• b: 11.9215 ± 0.0003 Å
• c: 13.638 ± 0.0005 Å
• α: 90°
• β: 98.937 ± 0.003°
• γ: 90°
• Cell volume: 1665.37 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0268
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes