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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.

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.

SUBMITTER: Shank N

PROVIDER: S-EPMC9635418 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature

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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.

Shank Nathaniel N Stadler Andrea L AL Barrett Sean P SP Padgett Clifford W CW

IUCrData 20220816 Pt 8

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</i ...[more]

PMID: 36340973

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