Methyl 1-allyl-4-hy­droxy-2,2-dioxo-1H-2λ(6),1-benzo­thia­zine-3-carboxyl­ate

There are two independent mol­ecules in the asymmetric unit of the title compound, C(13)H(13)NO(5)S, in both of which the ester substituent is nearly coplanar [C—C—C—O torsion angles = 2.7 (7) and −0.8 (7)°] with the planar fragment of the bicycle due to the formation of a strong O—H⋯O intra­molecul...

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Autores principales: Shishkina, Svitlana V., Ukrainets, Igor V., Petrushova, Lidiya A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884348/
https://www.ncbi.nlm.nih.gov/pubmed/24454124
http://dx.doi.org/10.1107/S1600536813028572
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author Shishkina, Svitlana V.
Ukrainets, Igor V.
Petrushova, Lidiya A.
author_facet Shishkina, Svitlana V.
Ukrainets, Igor V.
Petrushova, Lidiya A.
author_sort Shishkina, Svitlana V.
collection PubMed
description There are two independent mol­ecules in the asymmetric unit of the title compound, C(13)H(13)NO(5)S, in both of which the ester substituent is nearly coplanar [C—C—C—O torsion angles = 2.7 (7) and −0.8 (7)°] with the planar fragment of the bicycle due to the formation of a strong O—H⋯O intra­molecular hydrogen bond. The vinyl group at the ring N atom is approximately orthogonal to the heterocyclic mean plane [C—N—C—C torsion angles = 103.1 (6) and 98.2 (5)°]. The refinement was performed on a two-component, non-merohedrally twinned crystal [population ratio = 0.483 (3):0.517 (3).
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spelling pubmed-38843482014-01-17 Methyl 1-allyl-4-hy­droxy-2,2-dioxo-1H-2λ(6),1-benzo­thia­zine-3-carboxyl­ate Shishkina, Svitlana V. Ukrainets, Igor V. Petrushova, Lidiya A. Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two independent mol­ecules in the asymmetric unit of the title compound, C(13)H(13)NO(5)S, in both of which the ester substituent is nearly coplanar [C—C—C—O torsion angles = 2.7 (7) and −0.8 (7)°] with the planar fragment of the bicycle due to the formation of a strong O—H⋯O intra­molecular hydrogen bond. The vinyl group at the ring N atom is approximately orthogonal to the heterocyclic mean plane [C—N—C—C torsion angles = 103.1 (6) and 98.2 (5)°]. The refinement was performed on a two-component, non-merohedrally twinned crystal [population ratio = 0.483 (3):0.517 (3). International Union of Crystallography 2013-10-23 /pmc/articles/PMC3884348/ /pubmed/24454124 http://dx.doi.org/10.1107/S1600536813028572 Text en © Shishkina et al. 2013 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
Shishkina, Svitlana V.
Ukrainets, Igor V.
Petrushova, Lidiya A.
Methyl 1-allyl-4-hy­droxy-2,2-dioxo-1H-2λ(6),1-benzo­thia­zine-3-carboxyl­ate
title Methyl 1-allyl-4-hy­droxy-2,2-dioxo-1H-2λ(6),1-benzo­thia­zine-3-carboxyl­ate
title_full Methyl 1-allyl-4-hy­droxy-2,2-dioxo-1H-2λ(6),1-benzo­thia­zine-3-carboxyl­ate
title_fullStr Methyl 1-allyl-4-hy­droxy-2,2-dioxo-1H-2λ(6),1-benzo­thia­zine-3-carboxyl­ate
title_full_unstemmed Methyl 1-allyl-4-hy­droxy-2,2-dioxo-1H-2λ(6),1-benzo­thia­zine-3-carboxyl­ate
title_short Methyl 1-allyl-4-hy­droxy-2,2-dioxo-1H-2λ(6),1-benzo­thia­zine-3-carboxyl­ate
title_sort methyl 1-allyl-4-hy­droxy-2,2-dioxo-1h-2λ(6),1-benzo­thia­zine-3-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884348/
https://www.ncbi.nlm.nih.gov/pubmed/24454124
http://dx.doi.org/10.1107/S1600536813028572
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AT ukrainetsigorv methyl1allyl4hydroxy22dioxo1h2l61benzothiazine3carboxylate
AT petrushovalidiyaa methyl1allyl4hydroxy22dioxo1h2l61benzothiazine3carboxylate

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