Information card for entry 2237984

Structure parameters

• Chemical name: 3-Hydroxy-1-[(morpholin-4-yl)methyl]pyridazin-6(1<i>H</i>)-one
• Formula: C9 H13 N3 O3
• Calculated formula: C9 H13 N3 O3
• SMILES: Oc1ccc(=O)n(n1)CN1CCOCC1
• Title of publication: 3-Hydroxy-1-[(morpholin-4-yl)methyl]pyridazin-6(1<i>H</i>)-one
• Authors of publication: Santhi, P. R.; Selvanathan, G.; Poongothai, G.; Srinivasan, T.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o778
• a: 5.211 ± 0.0003 Å
• b: 5.4165 ± 0.0004 Å
• c: 18.4544 ± 0.0012 Å
• α: 87.232 ± 0.002°
• β: 83.993 ± 0.006°
• γ: 80.862 ± 0.004°
• Cell volume: 511.18 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes