Information card for entry 2220094

Structure parameters

• Common name: 4-[5-Methyl-4-(morpholin-4-ylcarbonyl)-1<i>H</i>-1,2,3-triazol-1-yl]- 8-(trifluoromethyl)quinoline
• Chemical name: {5-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]-1<i>H</i>-1,2,3-triazol-4-\ yl}(morpholino)methanone
• Formula: C18 H16 F3 N5 O2
• Calculated formula: C18 H16 F3 N5 O2
• Title of publication: {5-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]-1<i>H</i>-1,2,3-triazol-4-yl}(morpholino)methanone
• Authors of publication: Anuradha, N.; Thiruvalluvar, A.; Mahalinga, M.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2375
• a: 9.2836 ± 0.0015 Å
• b: 9.6164 ± 0.0011 Å
• c: 9.9272 ± 0.0011 Å
• α: 92.082 ± 0.009°
• β: 93.063 ± 0.011°
• γ: 105.728 ± 0.012°
• Cell volume: 850.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1255
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.2075
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes