Information card for entry 7120393

Structure parameters

• Formula: C2 H4 N2 O2
• Calculated formula: C2 N2 O2
• SMILES: O=C(N)NC=O
• Title of publication: Determination of a molecular crystal structure by X-ray powder diffraction on a conventional laboratory instrument
• Authors of publication: Philip Lightfoot; Maryjane Tremayne; Kenneth D. M. Harris; Peter G. Bruce
• Journal of publication: Journal of the Chemical Society, Chemical Communications
• Year of publication: 1992
• Journal issue: 14
• Pages of publication: 1012 - 1013
• a: 16.8156 ± 0.0005 Å
• b: 6.0608 ± 0.0001 Å
• c: 3.6696 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 373.991 ± 0.016 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No