Information card for entry 2224771

Structure parameters

• Chemical name: Quinoxaline-2-carbonitrile
• Formula: C9 H5 N3
• Calculated formula: C9 H5 N3
• SMILES: n1c2ccccc2ncc1C#N
• Title of publication: Quinoxaline-2-carbonitrile
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Maity, Annada C.; Das, Nirmal Kumar; Goswami, Shyamaprosad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o28
• a: 3.8055 ± 0.0001 Å
• b: 19.0466 ± 0.0004 Å
• c: 10.1845 ± 0.0002 Å
• α: 90°
• β: 93.466 ± 0.001°
• γ: 90°
• Cell volume: 736.84 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes