1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-di-hydro-1,3-benzo-thia-zol-2-yl-idene]meth-yl}quinolin-1-ium iodide monohydrate

Nathaniel Shank; Andrea L Stadler; Sean P Barrett; Clifford W Padgett

doi:10.1107/S2414314622007970

1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-di-hydro-1,3-benzo-thia-zol-2-yl-idene]meth-yl}quinolin-1-ium iodide monohydrate

IUCrdata. 2022 Aug 16;7(Pt 8):x220797. doi: 10.1107/S2414314622007970. eCollection 2022 Aug.

Authors

Nathaniel Shank¹, Andrea L Stadler², Sean P Barrett¹, Clifford W Padgett¹

Affiliations

¹ Department of Chemistry and Biochemistry, Georgia Southern University, Armstrong Campus, 11935 Abercorn Street, Savannah GA 31419, USA.
² Chemistry, Department of Physical Sciences, St. Joseph's College, 155 West Roe Blvd, Patchogue, NY 11772, USA.

Abstract

The title thia-zole orange derivative, bearing an alkene substituent, crystallized as a monohydrate of its iodide salt, namely, (Z)-1-(hex-5-en-1-yl)-4-{[3-methyl-2,3-di-hydro-1,3-benzo-thia-zol-2-yl-idene]meth-yl}quinolin-1-ium iodide monohydrate, C₂₄H₂₅N₂S⁺·I^-·H₂O. The packing features aromatic π-stacking and van der Waals inter-actions. The water mol-ecule of crystallization inter-acts with the cation and anion via O-H⋯N and O-H⋯I hydrogen bonds, respectively.

Keywords: crystal structure; thiazole orange; π–stacking.

Grants and funding

Funding for this research was provided by: National Science Foundation, Directorate for Mathematical and Physical Sciences (grant No. 2018774 to Nathaniel Shank).