Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ(6),2-benzothia­zol-2-yl)acetate

In the title mol­ecule, C(12)H(13)NO(5)S, the benzisothia­zole ring system is essentially planar (r.m.s. deviation = 0.0169 Å) as is the –C—C(=O)—O—C– sequence of atoms in the vicinity of the acetate group (r.m.s. deviation = 0.0044 Å). The mean plane of these atoms forms a dihedral angle of 88.41 (...

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Autores principales: Zia-ur-Rehman, Muhammad, Shahid, Bilal, Siddiqui, Hamid Latif, Ahmad, Tanveer, Parvez, Masood
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/PMC3435796/
https://www.ncbi.nlm.nih.gov/pubmed/22969642
http://dx.doi.org/10.1107/S1600536812036148
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author Zia-ur-Rehman, Muhammad
Shahid, Bilal
Siddiqui, Hamid Latif
Ahmad, Tanveer
Parvez, Masood
author_facet Zia-ur-Rehman, Muhammad
Shahid, Bilal
Siddiqui, Hamid Latif
Ahmad, Tanveer
Parvez, Masood
author_sort Zia-ur-Rehman, Muhammad
collection PubMed
description In the title mol­ecule, C(12)H(13)NO(5)S, the benzisothia­zole ring system is essentially planar (r.m.s. deviation = 0.0169 Å) as is the –C—C(=O)—O—C– sequence of atoms in the vicinity of the acetate group (r.m.s. deviation = 0.0044 Å). The mean plane of these atoms forms a dihedral angle of 88.41 (7)° with the benzisothia­zole ring system. In the crystal, weak C—H⋯O hydrogen bonds involving methyl­ene and methyne H atoms form R (4) (3)(20) graph-set motifs.
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spelling pubmed-34357962012-09-11 Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ(6),2-benzothia­zol-2-yl)acetate Zia-ur-Rehman, Muhammad Shahid, Bilal Siddiqui, Hamid Latif Ahmad, Tanveer Parvez, Masood Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(12)H(13)NO(5)S, the benzisothia­zole ring system is essentially planar (r.m.s. deviation = 0.0169 Å) as is the –C—C(=O)—O—C– sequence of atoms in the vicinity of the acetate group (r.m.s. deviation = 0.0044 Å). The mean plane of these atoms forms a dihedral angle of 88.41 (7)° with the benzisothia­zole ring system. In the crystal, weak C—H⋯O hydrogen bonds involving methyl­ene and methyne H atoms form R (4) (3)(20) graph-set motifs. International Union of Crystallography 2012-08-23 /pmc/articles/PMC3435796/ /pubmed/22969642 http://dx.doi.org/10.1107/S1600536812036148 Text en © Zia-ur-Rehman 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
Zia-ur-Rehman, Muhammad
Shahid, Bilal
Siddiqui, Hamid Latif
Ahmad, Tanveer
Parvez, Masood
Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ(6),2-benzothia­zol-2-yl)acetate
title Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ(6),2-benzothia­zol-2-yl)acetate
title_full Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ(6),2-benzothia­zol-2-yl)acetate
title_fullStr Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ(6),2-benzothia­zol-2-yl)acetate
title_full_unstemmed Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ(6),2-benzothia­zol-2-yl)acetate
title_short Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ(6),2-benzothia­zol-2-yl)acetate
title_sort propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ(6),2-benzothia­zol-2-yl)acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435796/
https://www.ncbi.nlm.nih.gov/pubmed/22969642
http://dx.doi.org/10.1107/S1600536812036148
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