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Updated: May 27, 2026

Facile Preparation of 4-Substituted Quinazoline Derivatives
Published on: February 15, 2016
2-(4-Bromo-phen-yl)-3,4-dihydro-isoquinolin-2-ium thio-cyanate hemihydrate
Yanni Ma1, Fangjun Cao, Bin Zhu
1College of Science, Northwest Agriculture and Forest University, Yangling 712100, People's Republic of China.
Abstract:
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 dihydro-isoquinoline unit adopts a half-chair conformation. The water mol-ecule and thio-cyanate ion are linked by O-H⋯N hydrogen bonds, generating a four-membered ring motif. In addition, C-H⋯O and C-H⋯S inter-actions link the components into a chain along the c axis. π-π inter-actions [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 inter-actions give rise to a three-dimensional nework.
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