Information card for entry 2205681

Structure parameters

• Chemical name: 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(3,4- methylenedioxyphenyl)methyleneimino]-1H-pyrazole-3-carbonitrile
• Formula: C19 H9 Cl2 F3 N4 O2
• Calculated formula: C19 H9 Cl2 F3 N4 O2
• Title of publication: 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(3,4-methylenedioxyphenyl)methyleneimino]-1<i>H</i>-pyrazole-3-carbonitrile
• Authors of publication: Zhong, Ping; Zhang, Xiao-Hong; Yang, Zhi-Ping; Xiao, Hong-Ping; Hu, Mao-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1448 - o1449
• a: 6.4308 ± 0.0011 Å
• b: 9.8948 ± 0.0017 Å
• c: 15.356 ± 0.003 Å
• α: 90°
• β: 99.179 ± 0.004°
• γ: 90°
• Cell volume: 964.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes