Information card for entry 2233912

Structure parameters

• Chemical name: (<i>E</i>)-1-(2,5-Dichlorothiophen-3-yl)ethanone [8-(trifluoromethyl)quinolin-4-yl]hydrazone
• Formula: C16 H10 Cl2 F3 N3 S
• Calculated formula: C16 H10 Cl2 F3 N3 S
• SMILES: c12c(cccc1c(ccn2)N/N=C(C)/c1cc(sc1Cl)Cl)C(F)(F)F
• Title of publication: (<i>E</i>)-1-(2,5-Dichlorothiophen-3-yl)ethanone [8-(trifluoromethyl)quinolin-4-yl]hydrazone
• Authors of publication: Dayananda, A. S.; Yathirajan, H. S.; Harrison, William T. A.; Slawin, Alexandra M. Z.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o790
• a: 7.687 ± 0.002 Å
• b: 14.392 ± 0.005 Å
• c: 14.36 ± 0.005 Å
• α: 90°
• β: 95.053 ± 0.009°
• γ: 90°
• Cell volume: 1582.5 ± 0.9 ų
• Cell temperature: 73 ± 2 K
• Ambient diffraction temperature: 73 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes