Information card for entry 4110681

Structure parameters

• Formula: C2 H6 N4 O2
• Calculated formula: C2 H6 N4 O2
• SMILES: C(=O)(C(=O)NN)NN
• Title of publication: Abundant Polymorphism in a System with Multiple Hydrogen-Bonding Opportunities: Oxalyl Dihydrazide
• Authors of publication: Shinbyoung Ahn; Fang Guo; Benson M. Kariuki; Kenneth D. M. Harris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 8441 - 8452
• a: 3.6221 ± 0.0004 Å
• b: 6.8322 ± 0.0007 Å
• c: 9.1294 ± 0.001 Å
• α: 90°
• β: 99.298 ± 0.009°
• γ: 90°
• Cell volume: 222.96 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No