Information card for entry 2204660

Structure parameters

• Chemical name: 1-(4-Chlorophenyl)3-(4-trifluoromethylbenzoylhydrazino)prop-2-en-1-one
• Formula: C17 H12 Cl F3 N2 O2
• Calculated formula: C17 H12 Cl F3 N2 O2
• SMILES: Clc1ccc(cc1)C(=O)/C=C\NNC(=O)c1ccc(cc1)C(F)(F)F
• Title of publication: 1-(4-Chlorophenyl)-3-(4-trifluoromethylbenzoylhydrazino)-2-propenone
• Authors of publication: Li-Rong Wen; Wei-Si Guo; Ming Li; Xue-Mei Li; Shu-Sheng Zhang; Ping-Kai Ouyang; Zi-Qin Ke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2468 - o2470
• a: 7.6851 ± 0.0014 Å
• b: 8.8523 ± 0.0016 Å
• c: 25.104 ± 0.004 Å
• α: 86.897 ± 0.003°
• β: 88.293 ± 0.003°
• γ: 72.739 ± 0.003°
• Cell volume: 1628.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No