Information card for entry 2233795

Structure parameters

• Chemical name: (2<i>E</i>)-2-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-<i>N</i>- cyclohexylhydrazinecarbothioamide
• Formula: C15 H20 Br N3 O2 S
• Calculated formula: C15 H20 Br N3 O2 S
• SMILES: Brc1cc(c(O)c(OC)c1)/C=N/NC(=S)NC1CCCCC1
• Title of publication: (2<i>E</i>)-2-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-<i>N</i>-cyclohexylhydrazinecarbothioamide
• Authors of publication: Jacob, Jinsa Mary; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o836 - o837
• a: 5.7883 ± 0.0004 Å
• b: 11.412 ± 0.001 Å
• c: 13.1312 ± 0.0012 Å
• α: 75.194 ± 0.004°
• β: 86.493 ± 0.003°
• γ: 83.489 ± 0.003°
• Cell volume: 832.72 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes