Information card for entry 1557320

Structure parameters

• Common name: 5-Nitro-2,3-bis(thien-2-yl)quinoxaline
• Chemical name: 5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline
• Formula: C16 H9 N3 O2 S2
• Calculated formula: C16 H9 N3 O2 S2
• SMILES: s1c(c2nc3c(nc2c2sccc2)c(N(=O)=O)ccc3)ccc1
• Title of publication: 5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline
• Authors of publication: de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 2
• Pages of publication: x200196
• a: 9.6598 ± 0.0004 Å
• b: 7.4249 ± 0.0003 Å
• c: 11.2457 ± 0.0006 Å
• α: 90°
• β: 109.745 ± 0.005°
• γ: 90°
• Cell volume: 759.15 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No