Information card for entry 2240017

Structure parameters

• Chemical name: 4-Chloro-2-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-5-(piperidin-1-yl)\ pyridazin-3(2<i>H</i>)-one
• Formula: C14 H18 Cl N5 O2 S
• Calculated formula: C14 H18 Cl N5 O2 S
• Title of publication: Crystal structure of 4-chloro-2-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-5-(piperidin-1-yl)pyridazin-3(2<i>H</i>)-one
• Authors of publication: Li, Hongsen; Ren, Xinfeng; Li, Ya; Zhao, Linjing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: o1113
• a: 5.284 ± 0.0008 Å
• b: 11.0323 ± 0.0016 Å
• c: 14.902 ± 0.002 Å
• α: 107.318 ± 0.002°
• β: 91.59 ± 0.002°
• γ: 99.528 ± 0.002°
• Cell volume: 815.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.581
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes