Information card for entry 2008557

Structure parameters

• Chemical name: 1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline
• Formula: C19 H16 Cl2 N2 O
• Calculated formula: C19 H16 Cl2 N2 O
• SMILES: Clc1c(C2N(N=C(C2)/C=C/c2ccccc2Cl)C(=O)C)cccc1
• Title of publication: 1-Acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline and 1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline
• Authors of publication: R. V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal; S. Selvaraj
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 987 - 990
• a: 9.296 ± 0.002 Å
• b: 10.524 ± 0.003 Å
• c: 11.044 ± 0.003 Å
• α: 113.89 ± 0.02°
• β: 100.15 ± 0.02°
• γ: 109.75 ± 0.02°
• Cell volume: 866.1 ± 0.5 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: 0.101
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No