Information card for entry 2101094

Structure parameters

• Formula: C10 H11 N3 O
• Calculated formula: C10 H11 N3 O
• SMILES: O=C1CCC(=NN1)c1ccc(cc1)N
• 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: 7.47 ± 0.002 Å
• b: 11.52 ± 0.002 Å
• c: 11.898 ± 0.004 Å
• α: 112.85 ± 0.02°
• β: 102.06 ± 0.02°
• γ: 96.57 ± 0.02°
• Cell volume: 900.7 ± 0.5 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No