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Crystal structure and Hirshfeld surface analysis of (E)-2-(5-bromo-2-hydroxybenzylidene)hydrazinecarbothioamide dimethyl sulfoxide monosolvate
The molecule of the title Schiff base, C(8)H(8)BrN(3)OS·C(2)H(6)OS, which crystallizes as a dimethyl sulfoxide (DMSO) monosolvate, displays an E configuration with respect to the C=N bond, with a dihedral angle of 14.54 (11)° between the benzene ring and the mean plane of the N—N—C(N)=S unit. In t...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956319/ https://www.ncbi.nlm.nih.gov/pubmed/29850036 http://dx.doi.org/10.1107/S2056989018000233 |
Sumario: | The molecule of the title Schiff base, C(8)H(8)BrN(3)OS·C(2)H(6)OS, which crystallizes as a dimethyl sulfoxide (DMSO) monosolvate, displays an E configuration with respect to the C=N bond, with a dihedral angle of 14.54 (11)° between the benzene ring and the mean plane of the N—N—C(N)=S unit. In the crystal, molecules are linked by N—H⋯O hydrogen bonds, forming chains propagating along the b-axis direction. Within the chains there are R (2) (3)(11) ring motifs, which are reinforced by C—H⋯O(DMSO) hydrogen bonds enclosing secondary R (1) (2)(6) and R (2) (3)(9) loops. The chains are linked by O—H(hydroxyl)⋯S hydrogen bonds, forming layers parallel to (011). Inversion-related layers are linked by short Br⋯Br interactions [3.5585 (5) Å], forming slabs parallel to (011). The intermolecular interactions have been investigated using Hirshfeld surface studies and two-dimensional fingerprint plots. The crystal structure of the unsolvated form of the title compound has been reported previously [Kargar et al. (2010). Acta Cryst. E66, o2999], and its solid-state structure is compared with that of the title solvated form. |
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