Information card for entry 2007421

Structure parameters

• Formula: C19 H18 N2 O
• Calculated formula: C19 H18 N2 O
• SMILES: O=C(N1N=C(CC1c1ccccc1)/C=C/c1ccccc1)C
• Title of publication: Racemic 1-Acetyl-5-phenyl-3-styryl-2-pyrazoline
• Authors of publication: R.V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 976 - 978
• a: 12.704 ± 0.002 Å
• b: 15.788 ± 0.004 Å
• c: 16.676 ± 0.002 Å
• α: 90°
• β: 107.7 ± 0.01°
• γ: 90°
• Cell volume: 3186.4 ± 1 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections: 0.148
• Weighted residual factors for significantly intense reflections: 0.135
• Goodness-of-fit parameter for all reflections: 1.284
• Goodness-of-fit parameter for significantly intense reflections: 1.547
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No