Information card for entry 2234990

Structure parameters

• Chemical name: (2<i>E</i>)-2-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-<i>N</i>- phenylhydrazinecarbothioamide
• Formula: C15 H14 Br N3 O2 S
• Calculated formula: C15 H14 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>-phenylhydrazinecarbothioamide
• Authors of publication: Jacob, Jinsa Mary; Sithambaresan, M.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1871 - o1872
• a: 6.1046 ± 0.0005 Å
• b: 11.0329 ± 0.0008 Å
• c: 12.4303 ± 0.0009 Å
• α: 101.175 ± 0.003°
• β: 91.323 ± 0.002°
• γ: 104.759 ± 0.002°
• Cell volume: 791.91 ± 0.1 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: 0.039
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes