Information card for entry 2236292

Structure parameters

• Chemical name: (2<i>E</i>)-1-[2,3-Dichloro-6-methyl-5-(trifluoromethyl)phenyl]-2- (1-phenylethylidene)hydrazine
• Formula: C16 H13 Cl2 F3 N2
• Calculated formula: C16 H13 Cl2 F3 N2
• SMILES: Clc1c(N/N=C(/c2ccccc2)C)c(c(cc1Cl)C(F)(F)F)C
• Title of publication: (2<i>E</i>)-1-[2,3-Dichloro-6-methyl-5-(trifluoromethyl)phenyl]-2-(1-phenylethylidene)hydrazine
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Bhat, Manjunath; Arulmoli, T.; Nagaraja, G. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3189
• a: 11.26 ± 0.0016 Å
• b: 11.4025 ± 0.0017 Å
• c: 14.8398 ± 0.0016 Å
• α: 90°
• β: 123.773 ± 0.007°
• γ: 90°
• Cell volume: 1583.8 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes