Information card for entry 2211390

Structure parameters

• Chemical name: (E)-2-[(1,2,3-Thiadiazol-5-yl)iminomethyl]phenol
• Formula: C9 H7 N3 O S
• Calculated formula: C9 H7 N3 O S
• SMILES: s1c(/N=C/c2ccccc2O)cnn1
• Title of publication: (<i>E</i>)-2-[(1,2,3-Thiadiazol-5-yl)iminomethyl]phenol
• Authors of publication: Gao, Jin-Sheng; Zhang, Shuang; Hou, Guang-Feng; Hou, Yan-Jun; Yan, Peng-Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5462 - o5463
• a: 4.7477 ± 0.0009 Å
• b: 11.415 ± 0.002 Å
• c: 16.798 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 910.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes