Information card for entry 2232649

Structure parameters

• Chemical name: (<i>E</i>)-5-[(2-Hydroxy-5-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)ccc(OC)c2)=NNC1=S
• Title of publication: (<i>E</i>)-5-[(2-Hydroxy-5-methoxybenzylidene)amino]-1,3,4-thiadiazole-2(3<i>H</i>)-thione
• Authors of publication: Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3311
• a: 6.2266 ± 0.0002 Å
• b: 8.068 ± 0.0002 Å
• c: 11.9695 ± 0.0003 Å
• α: 83.027 ± 0.002°
• β: 77.993 ± 0.001°
• γ: 87.898 ± 0.001°
• Cell volume: 583.76 ± 0.03 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes