Information card for entry 2202014

Structure parameters

• Chemical name: 4-[(2,6-Dichlorophenyl)(hydroxyimino)methyl]-1,5-dimethyl-2-phenyl-1,2- dihydropyrazol-3-one
• Formula: C18 H15 Cl2 N3 O2
• Calculated formula: C18 H15 Cl2 N3 O2
• SMILES: Clc1c(C(=NO)C2C(=O)N(N(C=2C)C)c2ccccc2)c(Cl)ccc1
• Title of publication: 4-[(2,6-Dichlorophenyl)(hydroxyimino)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one
• Authors of publication: Li, Xiao-Fang; Feng, Ya-Qing; Zhuang, Jun-Peng; Hu, Xiao-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o272 - o274
• a: 7.804 ± 0.002 Å
• b: 9.123 ± 0.004 Å
• c: 13.523 ± 0.005 Å
• α: 74.313 ± 0.008°
• β: 78.473 ± 0.008°
• γ: 74.265 ± 0.008°
• Cell volume: 883.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes