Information card for entry 2232816

Structure parameters

• Chemical name: (<i>E</i>)-2-(4-Benzyloxy-2-hydroxybenzylidene)-<i>N</i>- phenylhydrazinecarbothioamide
• Formula: C21 H19 N3 O2 S
• Calculated formula: C21 H19 N3 O2 S
• SMILES: S=C(N/N=C/c1c(O)cc(OCc2ccccc2)cc1)Nc1ccccc1
• Title of publication: (<i>E</i>)-2-(4-Benzyloxy-2-hydroxybenzylidene)-<i>N</i>-phenylhydrazinecarbothioamide
• Authors of publication: Nisha, K.; Sithambaresan, M.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3420
• a: 24.099 ± 0.003 Å
• b: 16.173 ± 0.002 Å
• c: 9.837 ± 0.0011 Å
• α: 90°
• β: 95.906 ± 0.007°
• γ: 90°
• Cell volume: 3813.7 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes