Information card for entry 7203097

Structure parameters

• Common name: Pyrazine-N,N'-dioxide
• Chemical name: Pyrazine-N,N'-dioxide
• Formula: C4 H4 N2 O2
• Calculated formula: C4 H4 N2 O2
• Title of publication: High Z′ polymorphs have shorter C–H⋯O interactions and O–H⋯O hydrogen bonds
• Authors of publication: Babu, N. Jagadeesh; Nangia, Ashwini
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 980
• a: 11.8672 ± 0.0018 Å
• b: 12.2217 ± 0.0019 Å
• c: 6.4287 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 932.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No