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Crystal structure of (E)-2-(2-{5-[(2-acet-oxy-eth-yl)(meth-yl)amino]-thio-phen-2-yl}vin-yl)-3-methyl-benzo-thia-zolium iodide monohydrate.

Authors :
Sun XS
Wang MM
Li DD
Source :
Acta crystallographica. Section E, Structure reports online [Acta Crystallogr Sect E Struct Rep Online] 2014 Sep 13; Vol. 70 (Pt 10), pp. o1104-5. Date of Electronic Publication: 2014 Sep 13 (Print Publication: 2014).
Publication Year :
2014

Abstract

In the cation of the title hydrated salt, C19H21N2O2S2 (+)·I(-)·H2O, the benzo-thia-zolium ring system is approximately planar [maximum deviation = 0.0251 (15) Å], and it makes a small dihedral angle of 1.16 (18)° with the plane of the thio-phene ring. In the crystal, the cations, anions and crystalline water mol-ecules are linked by classical O-H⋯O, O-H⋯I and weak C-H⋯O hydrogn bonds, forming a three-dimensional supra-molecular network. π-π stacking is observed between parallel thia-zole rings of adjacent cations [centroid-centroid distance = 3.5945 (16) Å].

Details

Language :
English
ISSN :
1600-5368
Volume :
70
Issue :
Pt 10
Database :
MEDLINE
Journal :
Acta crystallographica. Section E, Structure reports online
Publication Type :
Academic Journal
Accession number :
25484696
Full Text :
https://doi.org/10.1107/S1600536814020121