Information card for entry 2009712

Structure parameters

• Chemical name: 2-Amino-8-ethyl-1,1,1-trifluoro-5-trifluoromethyl-3,4,8-triazadeca-(Z)-2,(E)- 4,(E)-6-triene
• Formula: C10 H14 F6 N4
• Calculated formula: C10 H14 F9 N4
• Title of publication: (2<i>Z</i>,4<i>E</i>,6<i>E</i>)-8-Ethyl-1,1,1-trifluoro-5-trifluoromethyl-3,4,8-triazadeca-2,4,6-triene-2-amine: formation of hydrogen-bonded pairs <i>via</i> an amine‒diazine interaction
• Authors of publication: Abdul-Ghani, M.; Pritchard, R.G.; Tipping, A.E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 719 - 721
• a: 23.223 ± 0.007 Å
• b: 13.044 ± 0.003 Å
• c: 9.724 ± 0.002 Å
• α: 90°
• β: 101.46 ± 0.03°
• γ: 90°
• Cell volume: 2886.9 ± 1.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.0684
• Goodness-of-fit parameter for significantly intense reflections: 2.456
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No