Information card for entry 2226495

Structure parameters

• Chemical name: 2,3-Dimethyl-6-nitroquinoxaline
• Formula: C10 H9 N3 O2
• Calculated formula: C10 H9 N3 O2
• SMILES: O=N(=O)c1ccc2nc(c(nc2c1)C)C
• Title of publication: 2,3-Dimethyl-6-nitroquinoxaline
• Authors of publication: Ghalib, Raza Murad; Hashim, Rokiah; Mehdi, Sayed Hasan; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1830 - o1831
• a: 7.1125 ± 0.0007 Å
• b: 22.49 ± 0.002 Å
• c: 12.9596 ± 0.001 Å
• α: 90°
• β: 115.026 ± 0.004°
• γ: 90°
• Cell volume: 1878.4 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes