Information card for entry 2226720

Structure parameters

• Chemical name: 3,4-Dimethoxybenzaldehyde [2,8-bis(trifluoromethyl)quinolin-4-yl]hydrazone
• Formula: C20 H15 F6 N3 O2
• Calculated formula: C20 H15 F6 N3 O2
• SMILES: FC(F)(F)c1nc2c(cccc2c(N/N=C/c2cc(OC)c(OC)cc2)c1)C(F)(F)F
• Title of publication: 3,4-Dimethoxybenzaldehyde [2,8-bis(trifluoromethyl)quinolin-4-yl]hydrazone
• Authors of publication: Al-eryani, Waleed Fedl Ali; Kumari, J. Shylaja; Arunkashi, H. K.; Vepuri, Suresh Babu; Devarajegowda, H. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1742
• a: 7.0359 ± 0.0006 Å
• b: 8.9617 ± 0.0008 Å
• c: 15.5315 ± 0.0014 Å
• α: 90.154 ± 0.001°
• β: 93.951 ± 0.001°
• γ: 96.449 ± 0.001°
• Cell volume: 970.75 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes