Information card for entry 2008558

Structure parameters

• Chemical name: 1-acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline
• Formula: C21 H22 N2 O3
• Calculated formula: C21 H22 N2 O3
• SMILES: O=C(N1N=C(CC1c1ccc(OC)cc1)/C=C/c1ccc(OC)cc1)C
• 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: 5.72 ± 0.001 Å
• b: 12.085 ± 0.004 Å
• c: 26.654 ± 0.004 Å
• α: 90°
• β: 91.78 ± 0.02°
• γ: 90°
• Cell volume: 1841.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No