2H-[1,3]Thia­zolo[5,4,3-ij]quinolin-3-ium chloride monohydrate

The structure of the title hydrated mol­ecular salt, C(10)H(8)NS(+)·Cl(−)·H(2)O, obtained by the reaction of sodium quinoline-8-thiolate Na(Quin-8-S) with CH(2)Cl(2) and an aqueous solution of [Bu(4)N]Cl, contains π-stacked cations [plane-to-plane separation = 3.338 (4)–3.356 (4) Å] and features cha...

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Detalles Bibliográficos
Autores principales: Ehweiner, Madeleine A., Belaj, Ferdinand, Mösch-Zanetti, Nadia C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462152/
https://www.ncbi.nlm.nih.gov/pubmed/36340016
http://dx.doi.org/10.1107/S2414314620014650
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author Ehweiner, Madeleine A.
Belaj, Ferdinand
Mösch-Zanetti, Nadia C.
author_facet Ehweiner, Madeleine A.
Belaj, Ferdinand
Mösch-Zanetti, Nadia C.
author_sort Ehweiner, Madeleine A.
collection PubMed
description The structure of the title hydrated mol­ecular salt, C(10)H(8)NS(+)·Cl(−)·H(2)O, obtained by the reaction of sodium quinoline-8-thiolate Na(Quin-8-S) with CH(2)Cl(2) and an aqueous solution of [Bu(4)N]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 H(2)O mol­ecules connected by O—H⋯O hydrogen bonds. The cation shows whole-mol­ecule disorder over two flipped orientations in a 0.853 (3):0.147 (3) ratio. [Image: see text]
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spelling pubmed-94621522022-11-04 2H-[1,3]Thia­zolo[5,4,3-ij]quinolin-3-ium chloride monohydrate Ehweiner, Madeleine A. Belaj, Ferdinand Mösch-Zanetti, Nadia C. IUCrdata Data Reports The structure of the title hydrated mol­ecular salt, C(10)H(8)NS(+)·Cl(−)·H(2)O, obtained by the reaction of sodium quinoline-8-thiolate Na(Quin-8-S) with CH(2)Cl(2) and an aqueous solution of [Bu(4)N]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 H(2)O mol­ecules connected by O—H⋯O hydrogen bonds. The cation shows whole-mol­ecule disorder over two flipped orientations in a 0.853 (3):0.147 (3) ratio. [Image: see text] International Union of Crystallography 2020-11-10 /pmc/articles/PMC9462152/ /pubmed/36340016 http://dx.doi.org/10.1107/S2414314620014650 Text en © Ehweiner et al. 2020 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Ehweiner, Madeleine A.
Belaj, Ferdinand
Mösch-Zanetti, Nadia C.
2H-[1,3]Thia­zolo[5,4,3-ij]quinolin-3-ium chloride monohydrate
title 2H-[1,3]Thia­zolo[5,4,3-ij]quinolin-3-ium chloride monohydrate
title_full 2H-[1,3]Thia­zolo[5,4,3-ij]quinolin-3-ium chloride monohydrate
title_fullStr 2H-[1,3]Thia­zolo[5,4,3-ij]quinolin-3-ium chloride monohydrate
title_full_unstemmed 2H-[1,3]Thia­zolo[5,4,3-ij]quinolin-3-ium chloride monohydrate
title_short 2H-[1,3]Thia­zolo[5,4,3-ij]quinolin-3-ium chloride monohydrate
title_sort 2h-[1,3]thia­zolo[5,4,3-ij]quinolin-3-ium chloride monohydrate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462152/
https://www.ncbi.nlm.nih.gov/pubmed/36340016
http://dx.doi.org/10.1107/S2414314620014650
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