Information card for entry 2010637

Structure parameters

• Formula: C14 H10 N4 O S
• Calculated formula: C14 H10 N4 O S
• SMILES: c1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccco1
• Title of publication: 3-(2-Furyl)-6-(4-methylphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine and its 6-phenyl analogue
• Authors of publication: Özbey, Süheyla; Ulusoy, Nuray; Kendi, Engin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 222 - 224
• a: 8.799 ± 0.002 Å
• b: 9.302 ± 0.001 Å
• c: 15.5437 ± 0.0001 Å
• α: 90°
• β: 97.4 ± 0.01°
• γ: 90°
• Cell volume: 1261.6 ± 0.3 ų
• Cell temperature: 295 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 significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes