Information card for entry 2233802

Structure parameters

• Chemical name: 5-({[(<i>E</i>)-Benzylideneamino]oxy}methyl)-1,3,4-thiadiazol-2-amine
• Formula: C10 H10 N4 O S
• Calculated formula: C10 H10 N4 O S
• SMILES: c1(ccccc1)/C=N/OCc1nnc(N)s1
• Title of publication: 5-({[(<i>E</i>)-Benzylideneamino]oxy}methyl)-1,3,4-thiadiazol-2-amine
• Authors of publication: Yin, Weiyan; Wang, Zhi; Yang, Zi-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o769
• a: 14.504 ± 0.004 Å
• b: 9.272 ± 0.003 Å
• c: 8.361 ± 0.003 Å
• α: 90°
• β: 106.75 ± 0.01°
• γ: 90°
• Cell volume: 1076.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes