Information card for entry 2227722

Structure parameters

• Common name: Triflumizole
• Chemical name: 4-chloro-<i>N</i>-[1-(1<i>H</i>-imidazol-1-yl)-2-propoxyethylidene]- 2-(trifluoromethyl)aniline
• Formula: C15 H15 Cl F3 N3 O
• Calculated formula: C15 H15 Cl F3 N3 O
• SMILES: Clc1cc(C(F)(F)F)c(/N=C(n2cncc2)\COCCC)cc1
• Title of publication: Triflumizole
• Authors of publication: Kim, Tae Ho; Park, Ki-Min; Shin, Yong Woon; Kim, Jineun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2954
• a: 9.2815 ± 0.0006 Å
• b: 20.5078 ± 0.0014 Å
• c: 8.6339 ± 0.0006 Å
• α: 90°
• β: 100.835 ± 0.001°
• γ: 90°
• Cell volume: 1614.11 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes