Information card for entry 2221205

Structure parameters

• Chemical name: 2-Chloroquinoxaline
• Formula: C8 H5 Cl N2
• Calculated formula: C8 H5 Cl N2
• SMILES: Clc1nc2c(nc1)cccc2
• Title of publication: 2-Chloroquinoxaline
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o455
• a: 9.1299 ± 0.0002 Å
• b: 3.8082 ± 0.0001 Å
• c: 21.0777 ± 0.0006 Å
• α: 90°
• β: 93.028 ± 0.002°
• γ: 90°
• Cell volume: 731.82 ± 0.03 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes