Information card for entry 1519831

Structure parameters

• Formula: C8 H4 Cl2 N2
• Calculated formula: C8 H4 Cl2 N2
• SMILES: c1(nc2ccccc2nc1Cl)Cl
• Title of publication: 2,3-Dichloro-quinoxaline
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 314
• a: 3.8278 ± 0.0002 Å
• b: 18.905 ± 0.0012 Å
• c: 10.8874 ± 0.0006 Å
• α: 90°
• β: 95.649 ± 0.004°
• γ: 90°
• Cell volume: 784.04 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No