Information card for entry 2219045

Structure parameters

• Chemical name: (2<i>Z</i>,3<i>Z</i>)-Quinoxaline-2,3(1<i>H</i>,4H)-dione dioxime
• Formula: C8 H8 N4 O2
• Calculated formula: C8 H8 N4 O2
• SMILES: O/N=C/1Nc2ccccc2NC1=N/O
• Title of publication: (2<i>Z</i>,3<i>Z</i>)-Quinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione dioxime
• Authors of publication: Kakanejadifard, Ali; Amani, Vahid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1512
• a: 9.831 ± 0.002 Å
• b: 13.609 ± 0.003 Å
• c: 24.344 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3257 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes