Information card for entry 7050551

Structure parameters

• Common name: Fumaramidioxime
• Formula: C4 H8 N4 O2
• Calculated formula: C4 H8 N4 O2
• SMILES: ON=C(N)\C=C/C(N)=NO
• Title of publication: Hydrogen bond patterns in aromatic and aliphatic dioximes
• Authors of publication: Eric A. Bruton; Lee Brammer; F. Christopher Pigge; Christer B. Aakeröy; Destin S. Leinen
• Journal of publication: New J. Chem.
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1084 - 1094
• a: 16.6296 ± 0.0017 Å
• b: 3.6679 ± 0.0003 Å
• c: 10.0529 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 613.18 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No