Information card for entry 2202183

Structure parameters

• Chemical name: 5-[(2-Hydroxyphenyl)methleneamino]-1,3,4-thiadiazole-2(3H)-thione
• Formula: C9 H7 N3 O S2
• Calculated formula: C9 H7 N3 O S2
• SMILES: S1C(=NNC1=S)/N=C/c1ccccc1O
• Title of publication: 5-[(2-Hydroxyphenyl)methyleneamino]-1,3,4-thiadiazole-2(3<i>H</i>)-thione
• Authors of publication: Zhang, Yu-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o581 - o582
• a: 6.587 ± 0.003 Å
• b: 13.723 ± 0.005 Å
• c: 11.758 ± 0.005 Å
• α: 90°
• β: 99.183 ± 0.006°
• γ: 90°
• Cell volume: 1049.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes