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Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 3-{(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}propanenitrile
The title compound, C(18)H(12)Cl(2)N(2)OS, consists of a dihydrobenzothiazine unit linked by a –CH group to a 2,4-dichlorophenyl substituent, and to a propanenitrile unit is folded along the S⋯N axis and adopts a flattened-boat conformation. The propanenitrile moiety is nearly perpendicular...
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| Publicado en: | Acta Crystallogr E Crystallogr Commun |
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| Autores principales: | , , , , , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
International Union of Crystallography
2019
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6658978/ https://ncbi.nlm.nih.gov/pubmed/31391953 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2056989019005966 |
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