Information card for entry 2238966

Structure parameters

• Chemical name: (<i>E</i>)-2-(4-Benzyloxy-2-hydroxybenzylidene)-<i>N</i>-methylhydrazinecarbothioamide
• Formula: C16 H17 N3 O2 S
• Calculated formula: C16 H17 N3 O2 S
• SMILES: S=C(N/N=C/c1ccc(OCc2ccccc2)cc1O)NC
• Title of publication: (<i>E</i>)-2-(4-Benzyloxy-2-hydroxybenzylidene)-<i>N</i>-methylhydrazinecarbothioamide
• Authors of publication: Sajitha, N. R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o112 - o113
• a: 17.013 ± 0.002 Å
• b: 5.9474 ± 0.001 Å
• c: 17.542 ± 0.004 Å
• α: 90°
• β: 117.565 ± 0.007°
• γ: 90°
• Cell volume: 1573.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes