Information card for entry 2100308

Structure parameters

• Formula: C3 H4 N2 O2
• Calculated formula: C3 H4 N2 O2
• SMILES: O=C1NCC(=O)N1
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2005
• Journal volume: 61
• Pages of publication: 511 - 527
• a: 9.3538 ± 0.0007 Å
• b: 12.1757 ± 0.0011 Å
• c: 7.2286 ± 0.0006 Å
• α: 90°
• β: 104.593 ± 0.004°
• γ: 90°
• Cell volume: 796.7 ± 0.11 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Duplicate of: 2100163
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No