Information card for entry 2217788

Structure parameters

• Chemical name: 1,4-Dihydroxyquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione
• Formula: C8 H6 N2 O4
• Calculated formula: C8 H6 N2 O4
• SMILES: O=C1N(O)c2ccccc2N(C1=O)O
• Title of publication: 1,4-Dihydroxyquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione
• Authors of publication: Abu-El-Halawah, Rajab; Ali, Basem Fares; Ibrahim, Mohammad M.; Zahra, Jalal A.; Frey, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o571 - o572
• a: 4.2562 ± 0.0006 Å
• b: 17.63 ± 0.003 Å
• c: 10.4775 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 786.2 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes