Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2H-1λ(6),2,6-thia­diazin-4-yl)benzoate

There are two mol­ecules, A and B, in the asymmetric unit of the title compound, C(14)H(16)N(2)O(4)S, which is the first example reported in this family of compounds in which the Nsp (3) atom of the thia­diazine ring is methyl­ated. The thia­diazine rings adopt shallow envelope conformations, with t...

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Detalles Bibliográficos
Autores principales: Bhatt, Nilay, Bhatt, Pralav, Nimavat, Kiran, Govender, Thavendran, Kruger, Hendrik G., Maguire, Glenn E. M.
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/PMC3588958/
https://www.ncbi.nlm.nih.gov/pubmed/23476194
http://dx.doi.org/10.1107/S1600536812046375
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author Bhatt, Nilay
Bhatt, Pralav
Nimavat, Kiran
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
author_facet Bhatt, Nilay
Bhatt, Pralav
Nimavat, Kiran
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
author_sort Bhatt, Nilay
collection PubMed
description There are two mol­ecules, A and B, in the asymmetric unit of the title compound, C(14)H(16)N(2)O(4)S, which is the first example reported in this family of compounds in which the Nsp (3) atom of the thia­diazine ring is methyl­ated. The thia­diazine rings adopt shallow envelope conformations, with the S atoms displaced by 0.319 (12) and 0.182 (12) Å from the mean planes of the other ring atoms in mol­ecules A and B, respectively. The dihedral angles between the thia­diazine mean planes (excluding S) and the attached benzene rings are 86.8 (3) and 86.7 (3)° for mol­ecules A and B, respectively.
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spelling pubmed-35889582013-03-08 Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2H-1λ(6),2,6-thia­diazin-4-yl)benzoate Bhatt, Nilay Bhatt, Pralav Nimavat, Kiran Govender, Thavendran Kruger, Hendrik G. Maguire, Glenn E. M. Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two mol­ecules, A and B, in the asymmetric unit of the title compound, C(14)H(16)N(2)O(4)S, which is the first example reported in this family of compounds in which the Nsp (3) atom of the thia­diazine ring is methyl­ated. The thia­diazine rings adopt shallow envelope conformations, with the S atoms displaced by 0.319 (12) and 0.182 (12) Å from the mean planes of the other ring atoms in mol­ecules A and B, respectively. The dihedral angles between the thia­diazine mean planes (excluding S) and the attached benzene rings are 86.8 (3) and 86.7 (3)° for mol­ecules A and B, respectively. International Union of Crystallography 2012-11-17 /pmc/articles/PMC3588958/ /pubmed/23476194 http://dx.doi.org/10.1107/S1600536812046375 Text en © Bhatt 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
Bhatt, Nilay
Bhatt, Pralav
Nimavat, Kiran
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2H-1λ(6),2,6-thia­diazin-4-yl)benzoate
title Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2H-1λ(6),2,6-thia­diazin-4-yl)benzoate
title_full Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2H-1λ(6),2,6-thia­diazin-4-yl)benzoate
title_fullStr Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2H-1λ(6),2,6-thia­diazin-4-yl)benzoate
title_full_unstemmed Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2H-1λ(6),2,6-thia­diazin-4-yl)benzoate
title_short Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2H-1λ(6),2,6-thia­diazin-4-yl)benzoate
title_sort methyl 2-(2,3,5-trimethyl-1,1-dioxo-2h-1λ(6),2,6-thia­diazin-4-yl)benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588958/
https://www.ncbi.nlm.nih.gov/pubmed/23476194
http://dx.doi.org/10.1107/S1600536812046375
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