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2H-[1,3]Thia-zolo[5,4,3-ij]quinolin-3-ium chloride monohydrate.

ABSTRACT: The structure of the title hydrated mol-ecular salt, C₁₀H₈NS⁺·Cl^-·H₂O, obtained by the reaction of sodium quinoline-8-thiolate Na(Quin-8-S) with CH₂Cl₂ and an aqueous solution of [Bu₄N]Cl, contains π-stacked cations [plane-to-plane separation = 3.338 (4)-3.356 (4) Å] and features chains built by alternating Cl^- anions and H₂O mol-ecules connected by O-H⋯O hydrogen bonds. The cation shows whole-mol-ecule disorder over two flipped orientations in a 0.853 (3):0.147 (3) ratio.

SUBMITTER: Ehweiner MA

PROVIDER: S-EPMC9462152 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature

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2H-[1,3]Thia-zolo[5,4,3-ij]quinolin-3-ium chloride monohydrate.

Ehweiner Madeleine A MA Belaj Ferdinand F Mösch-Zanetti Nadia C NC

IUCrData 20201110 Pt 11

The structure of the title hydrated mol-ecular salt, C10H8NS+·Cl-·H2O, obtained by the reaction of sodium quinoline-8-thiolate Na(Quin-8-S) with CH2Cl2 and an aqueous solution of [Bu4N]Cl, contains π-stacked cations [plane-to-plane separation = 3.338 (4)-3.356 (4) Å] and features chains built by alternating Cl- anions and H2O mol-ecules connected by O-H⋯O hydrogen bonds. The cation shows ...[more]

PMID: 36340016

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