Isopropyl 3-oxo-2,3-dihydro-1,2-benzothia­zole-2-carboxyl­ate

The title compound, C(11)H(11)NO(3)S, was synthesized by the reaction of benzo[d]isothia­zol-3(2H)-one with isopropanol in toluene. The benzoisothia­zolone ring system is essentially planar, with a mean deviation of 0.018 (2) Å from the least–squares plane defined by the nine constituent atoms. In t...

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Detalles Bibliográficos
Autores principales: Wang, Xiang-hui, Lin, Qiang, Yang, Jian-xin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200666/
https://www.ncbi.nlm.nih.gov/pubmed/22065523
http://dx.doi.org/10.1107/S1600536811034209
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author Wang, Xiang-hui
Lin, Qiang
Yang, Jian-xin
author_facet Wang, Xiang-hui
Lin, Qiang
Yang, Jian-xin
author_sort Wang, Xiang-hui
collection PubMed
description The title compound, C(11)H(11)NO(3)S, was synthesized by the reaction of benzo[d]isothia­zol-3(2H)-one with isopropanol in toluene. The benzoisothia­zolone ring system is essentially planar, with a mean deviation of 0.018 (2) Å from the least–squares plane defined by the nine constituent atoms. In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O hydrogen bonds.
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spelling pubmed-32006662011-11-06 Isopropyl 3-oxo-2,3-dihydro-1,2-benzothia­zole-2-carboxyl­ate Wang, Xiang-hui Lin, Qiang Yang, Jian-xin Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(11)H(11)NO(3)S, was synthesized by the reaction of benzo[d]isothia­zol-3(2H)-one with isopropanol in toluene. The benzoisothia­zolone ring system is essentially planar, with a mean deviation of 0.018 (2) Å from the least–squares plane defined by the nine constituent atoms. In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O hydrogen bonds. International Union of Crystallography 2011-08-27 /pmc/articles/PMC3200666/ /pubmed/22065523 http://dx.doi.org/10.1107/S1600536811034209 Text en © Wang et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Wang, Xiang-hui
Lin, Qiang
Yang, Jian-xin
Isopropyl 3-oxo-2,3-dihydro-1,2-benzothia­zole-2-carboxyl­ate
title Isopropyl 3-oxo-2,3-dihydro-1,2-benzothia­zole-2-carboxyl­ate
title_full Isopropyl 3-oxo-2,3-dihydro-1,2-benzothia­zole-2-carboxyl­ate
title_fullStr Isopropyl 3-oxo-2,3-dihydro-1,2-benzothia­zole-2-carboxyl­ate
title_full_unstemmed Isopropyl 3-oxo-2,3-dihydro-1,2-benzothia­zole-2-carboxyl­ate
title_short Isopropyl 3-oxo-2,3-dihydro-1,2-benzothia­zole-2-carboxyl­ate
title_sort isopropyl 3-oxo-2,3-dihydro-1,2-benzothia­zole-2-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200666/
https://www.ncbi.nlm.nih.gov/pubmed/22065523
http://dx.doi.org/10.1107/S1600536811034209
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AT linqiang isopropyl3oxo23dihydro12benzothiazole2carboxylate
AT yangjianxin isopropyl3oxo23dihydro12benzothiazole2carboxylate

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