Information card for entry 2227475

Structure parameters

• Common name: 4-{3-[(2-Isopropyl-5-methylphenoxy)methyl]-7<i>H</i>-1,2,4-triazolo[3,4- <i>b</i>][1,3,4]thiadiazin-6-yl}-3-(<i>p</i>-tolyl)sydnone
• Chemical name: 4-{3-[(2-isopropyl-5-methylphenoxy)methyl]-7<i>H</i>-1,2,4-triazolo[3,4- <i>b</i>][1,3,4]thiadiazin-6-yl}-3-(4-methylphenyl)-1,2,3-oxadiazol-3-ium- 5-olate
• Formula: C24 H24 N6 O3 S
• Calculated formula: C24 H24 N6 O3 S
• Title of publication: 4-{3-[(2-Isopropyl-5-methylphenoxy)methyl]-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazin-6-yl}-3-(<i>p</i>-tolyl)sydnone
• Authors of publication: Goh, Jia Hao; Fun, Hoong-Kun; Nithinchandra; Kalluraya, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2198 - o2199
• a: 16.7814 ± 0.0003 Å
• b: 7.2901 ± 0.0001 Å
• c: 20.2221 ± 0.0003 Å
• α: 90°
• β: 106.991 ± 0.001°
• γ: 90°
• Cell volume: 2365.95 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0872
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes