Information card for entry 2013460

Structure parameters

• Chemical name: 2,3-Bis(2-pyridyl)-5-nitroquinoxaline
• Formula: C18 H11 N5 O2
• Calculated formula: C18 H11 N5 O2
• SMILES: O=N(=O)c1cccc2nc(c(nc12)c1ncccc1)c1ncccc1
• Title of publication: 5-Nitro-2,3-bis(2-pyridyl)quinoxaline
• Authors of publication: Miao Du; Xiao-Jun Zhao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o403 - o405
• a: 10.942 ± 0.004 Å
• b: 11.63 ± 0.004 Å
• c: 12.906 ± 0.004 Å
• α: 104.615 ± 0.006°
• β: 93.419 ± 0.006°
• γ: 93.292 ± 0.006°
• Cell volume: 1581.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes