Information card for entry 2232651

Structure parameters

• Chemical name: (<i>E</i>)-5-[(3-Ethoxy-2-hydroxybenzylidene)amino]-1,3,4-thiadiazole-2(3<i>H</i>)-thione
• Formula: C11 H11 N3 O2 S2
• Calculated formula: C11 H11 N3 O2 S2
• SMILES: S1C(/N=C/c2c(O)c(OCC)ccc2)=NNC1=S
• Title of publication: (<i>E</i>)-5-[(3-Ethoxy-2-hydroxybenzylidene)amino]-1,3,4-thiadiazole-2(3<i>H</i>)-thione
• Authors of publication: Kargar, Hadi; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3437
• a: 8.925 ± 0.001 Å
• b: 11.3664 ± 0.0014 Å
• c: 12.8945 ± 0.0016 Å
• α: 90°
• β: 99.352 ± 0.009°
• γ: 90°
• Cell volume: 1290.7 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0799
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes