Information card for entry 2101097

Structure parameters

• Formula: C5 H10 N2 O2
• Calculated formula: C5 H10 N2 O2
• SMILES: CC1=NNC(=O)CC1.O
• Title of publication: Crystal and molecular structures of pyridazinone cardiovascular agents
• Authors of publication: Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 71 - 85
• a: 6.417 ± 0.001 Å
• b: 6.892 ± 0.002 Å
• c: 15.629 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 691.2 ± 0.3 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No