2-(4-Bromophenyl)-3,4-dihydroisoquinolin-2-ium thiocyanate hemihydrate

作者：Ma, Yanni; Cao, Fangjun; Zhu, Bin; Hu, Weigang; Zhou, Le^*

来源：ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2011, 67: O2766-+.

DOI：10.1107/S1600536811038542

• PARKINSONS-DISEASE
• DERIVATIVES
• NEUROTOXICITY
• ANTITUMOR

In the title hemihydrated salt, C15H13BrN+center dot NCS-center dot 0.5H(2)O, the two benzene rings are aligned at a dihedral angle of 46.9 (1)degrees. The six-membered heterocycle of the dihydroisoquinoline unit adopts a half-chair conformation. The water molecule and thiocyanate ion are linked by O-H center dot center dot center dot N hydrogen bonds, generating a four-membered ring motif. In addition, C-H center dot center dot center dot O and C-H center dot center dot center dot S interactions link the components into a chain along the c axis. pi-pi interactions [centroid-centroid distance = 3.974 (2) angstrom] link the chains into sheets and further pi-pi [centroid-centroid distance = 3.746 (2) angstrom] and C-H center dot center dot center dot pi interactions give rise to a three-dimensional nework.

• 出版日期2011-10
• 单位西北农林科技大学