3-[(2-Chloro-1,3-thia­zol-5-yl)meth­yl]-5-methyl-1,3,5-oxadiazinan-4-one

In the title compound, C(8)H(10)ClN(3)O(2)S, the oxadiazinane ring is in a sofa conformation with the ring O atom deviating from the best plane of the remaining five atoms by 0.636 (2) Å. A short intra­molecular C-S⋯O=C contact [S⋯O 3.122 (2) Å, C—S⋯O 80.0 (2)°] is observed between the two mol­ecula...

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Autores principales: Kant, Rajni, Gupta, Vivek K., Kapoor, Kamini, Shripanavar, Chetan S., Banerjee, Kaushik
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515215/
https://www.ncbi.nlm.nih.gov/pubmed/23284435
http://dx.doi.org/10.1107/S1600536812042031
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author Kant, Rajni
Gupta, Vivek K.
Kapoor, Kamini
Shripanavar, Chetan S.
Banerjee, Kaushik
author_facet Kant, Rajni
Gupta, Vivek K.
Kapoor, Kamini
Shripanavar, Chetan S.
Banerjee, Kaushik
author_sort Kant, Rajni
collection PubMed
description In the title compound, C(8)H(10)ClN(3)O(2)S, the oxadiazinane ring is in a sofa conformation with the ring O atom deviating from the best plane of the remaining five atoms by 0.636 (2) Å. A short intra­molecular C-S⋯O=C contact [S⋯O 3.122 (2) Å, C—S⋯O 80.0 (2)°] is observed between the two mol­ecular fragments bridged by the methyl­ene group. In the crystal, C—H⋯O hydrogen bonds link mol­ecules, forming chains along the b axis.
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spelling pubmed-35152152013-01-02 3-[(2-Chloro-1,3-thia­zol-5-yl)meth­yl]-5-methyl-1,3,5-oxadiazinan-4-one Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Shripanavar, Chetan S. Banerjee, Kaushik Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(8)H(10)ClN(3)O(2)S, the oxadiazinane ring is in a sofa conformation with the ring O atom deviating from the best plane of the remaining five atoms by 0.636 (2) Å. A short intra­molecular C-S⋯O=C contact [S⋯O 3.122 (2) Å, C—S⋯O 80.0 (2)°] is observed between the two mol­ecular fragments bridged by the methyl­ene group. In the crystal, C—H⋯O hydrogen bonds link mol­ecules, forming chains along the b axis. International Union of Crystallography 2012-10-13 /pmc/articles/PMC3515215/ /pubmed/23284435 http://dx.doi.org/10.1107/S1600536812042031 Text en © Kant et al. 2012 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
Kant, Rajni
Gupta, Vivek K.
Kapoor, Kamini
Shripanavar, Chetan S.
Banerjee, Kaushik
3-[(2-Chloro-1,3-thia­zol-5-yl)meth­yl]-5-methyl-1,3,5-oxadiazinan-4-one
title 3-[(2-Chloro-1,3-thia­zol-5-yl)meth­yl]-5-methyl-1,3,5-oxadiazinan-4-one
title_full 3-[(2-Chloro-1,3-thia­zol-5-yl)meth­yl]-5-methyl-1,3,5-oxadiazinan-4-one
title_fullStr 3-[(2-Chloro-1,3-thia­zol-5-yl)meth­yl]-5-methyl-1,3,5-oxadiazinan-4-one
title_full_unstemmed 3-[(2-Chloro-1,3-thia­zol-5-yl)meth­yl]-5-methyl-1,3,5-oxadiazinan-4-one
title_short 3-[(2-Chloro-1,3-thia­zol-5-yl)meth­yl]-5-methyl-1,3,5-oxadiazinan-4-one
title_sort 3-[(2-chloro-1,3-thia­zol-5-yl)meth­yl]-5-methyl-1,3,5-oxadiazinan-4-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515215/
https://www.ncbi.nlm.nih.gov/pubmed/23284435
http://dx.doi.org/10.1107/S1600536812042031
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