Information card for entry 2210161

Structure parameters

• Chemical name: (E)-1,3-Dimethyl-5-p-tolyloxy-1H-pyrazole-4-carbaldehyde O-(6-chloropyridazin-3-yl)oxime
• Formula: C18 H18 Cl N5 O2
• Calculated formula: C18 H18 Cl N5 O2
• SMILES: Clc1nnc(CON=Cc2c(Oc3ccc(C)cc3)n(nc2C)C)cc1
• Title of publication: (<i>E</i>)-1,3-Dimethyl-5-<i>p</i>-tolyloxy-1<i>H</i>-pyrazole-4-carbaldehyde <i>O</i>-(6-chloropyridazin-3-yl)oxime
• Authors of publication: Fang-Zhong Hu; Yong-Qiang Chang; Yong-Quan Zhu; XiaO Miao Zou; Hua-Zheng Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3676 - o3677
• a: 14.866 ± 0.003 Å
• b: 10.499 ± 0.002 Å
• c: 24.121 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3764.8 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1378
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes