Information card for entry 2203406

Structure parameters

• Chemical name: 1-Acetyl-5-(2-methoxyphenyl)-3-(2-methoxystyryl)-2-pyrazoline
• Formula: C21 H22 N2 O3
• Calculated formula: C21 H22 N2 O3
• SMILES: O=C(N1N=C(C=Cc2ccccc2OC)CC1c1ccccc1OC)C
• Title of publication: 1-Acetyl-5-(2-methoxyphenyl)-3-(2-methoxystyryl)-2-pyrazoline
• Authors of publication: R.V.Krishnakumar; V.Vijayabaskar; S.Perumal; S.Selvaraj; S.Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o476 - o478
• a: 8.8485 ± 0.0011 Å
• b: 8.9259 ± 0.0007 Å
• c: 12.9652 ± 0.0015 Å
• α: 70.074 ± 0.009°
• β: 81.597 ± 0.01°
• γ: 75.041 ± 0.008°
• Cell volume: 928.16 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No