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2-(4-Bromophenyl)-3,4-dihydroisoquinolin-2-ium thiocyanate hemihydrate
In the title hemihydrated salt, C(15)H(13)BrN(+)·NCS(−)·0.5H(2)O, the two benzene rings are aligned at a dihedral angle of 46.9 (1)°. The six-membered heterocycle of the dihydroisoquinoline unit adopts a half-chair conformation. The water molecule and thiocyanate ion are linked by O—H⋯N hydrogen...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201475/ https://www.ncbi.nlm.nih.gov/pubmed/22065793 http://dx.doi.org/10.1107/S1600536811038542 |
Sumario: | In the title hemihydrated salt, C(15)H(13)BrN(+)·NCS(−)·0.5H(2)O, the two benzene rings are aligned at a dihedral angle of 46.9 (1)°. The six-membered heterocycle of the dihydroisoquinoline unit adopts a half-chair conformation. The water molecule and thiocyanate ion are linked by O—H⋯N hydrogen bonds, generating a four-membered ring motif. In addition, C—H⋯O and C—H⋯S interactions link the components into a chain along the c axis. π–π interactions [centroid–centroid distance = 3.974 (2) Å] link the chains into sheets and further π—π [centroid–centroid distance = 3.746 (2) Å] and C—H⋯π interactions give rise to a three-dimensional nework. |
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