Information card for entry 2213033

Structure parameters

• Chemical name: 3-Methylquinoxaline-2-carbonitrile
• Formula: C10 H7 N3
• Calculated formula: C10 H7 N3
• SMILES: n1c2c(nc(c1C)C#N)cccc2
• Title of publication: 3-Methylquinoxaline-2-carbonitrile
• Authors of publication: Shyamaprosad Goswami; Annada C. Maity; Santiago García-Granda; Laura Torre-Fernández
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1741 - o1742
• a: 6.869 ± 0.002 Å
• b: 7.417 ± 0.003 Å
• c: 9.879 ± 0.005 Å
• α: 72.37 ± 0.04°
• β: 71.82 ± 0.03°
• γ: 64.29 ± 0.03°
• Cell volume: 422.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes