Information card for entry 2232669

Structure parameters

• Chemical name: (<i>E</i>)-5-[(2-Hydroxy-3-methoxybenzylidene)amino]-1,3,4-thiadiazole-2(3<i>H</i>)-thione
• Formula: C10 H9 N3 O2 S2
• Calculated formula: C10 H9 N3 O2 S2
• SMILES: S1C(/N=C/c2c(O)c(OC)ccc2)=NNC1=S
• Title of publication: (<i>E</i>)-5-[(2-Hydroxy-3-methoxybenzylidene)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: o3518
• a: 7.432 ± 0.005 Å
• b: 14.993 ± 0.005 Å
• c: 10.853 ± 0.005 Å
• α: 90°
• β: 101.738 ± 0.005°
• γ: 90°
• Cell volume: 1184 ± 1 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: 0.1511
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes