Information card for entry 2311295

Structure parameters

• Chemical name: 4-(4-Chlorophenyl)-6-(morpholin-4-yl)pyridazin-3(2<i>H</i>)-one
• Formula: C14 H14 Cl N3 O2
• Calculated formula: C14 H14 Cl N3 O2
• SMILES: Clc1ccc(cc1)c1c(=O)[nH]nc(N2CCOCC2)c1
• Title of publication: Crystal structure of 4-(4-chloro-phen-yl)-6-(morpholin-4-yl)pyridazin-3(2H)-one.
• Authors of publication: Aydın, Abdullah; Akkurt, Mehmet; Şüküroğlu, Murat; Büyükgüngör, Orhan
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 8
• Pages of publication: 944 - 946
• a: 13.0977 ± 0.0009 Å
• b: 7.4932 ± 0.0004 Å
• c: 14.1123 ± 0.0009 Å
• α: 90°
• β: 90.149 ± 0.005°
• γ: 90°
• Cell volume: 1385.03 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No