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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...

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Detalles Bibliográficos
Autores principales: Ma, Yanni, Cao, Fangjun, Zhu, Bin, Hu, Weigang, Zhou, Le
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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
Descripción
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.