Information card for entry 2227511

Structure parameters

• Chemical name: 2-(3-Nitrophenoxy)quinoxaline
• Formula: C14 H9 N3 O3
• Calculated formula: C14 H9 N3 O3
• SMILES: O(c1nc2c(nc1)cccc2)c1cccc(N(=O)=O)c1
• Title of publication: 2-(3-Nitrophenoxy)quinoxaline
• Authors of publication: Hassan, Noor Doha; Abdullah, Zanariah; Tajuddin, Hairul Anuar; Fairuz, Zainal A.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2429
• a: 6.0643 ± 0.0006 Å
• b: 5.3676 ± 0.0005 Å
• c: 18.2443 ± 0.0017 Å
• α: 90°
• β: 91.78 ± 0.001°
• γ: 90°
• Cell volume: 593.58 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes