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Dimethyl 3-acetyl-3-(1,3-benzothia­zol-2-yl)penta­nedioate

The title compound, C(16)H(17)NO(5)S, was one of two condensation products from the reaction of 1-(1,3-benzothia­zol-2-yl)propan-2-one with methyl chloro­acetate. The non-H atoms in each of the four substituent groups on the central quaternary C atom are virtually coplanar. The maximum deviations fr...

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Detalles Bibliográficos
Autores principales: Baryala, Yamna, Salem, Moussa, Essassi, El Mokhtar, Reuter, Hans, Izaaryene, Maher
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959939/
https://www.ncbi.nlm.nih.gov/pubmed/21581268
http://dx.doi.org/10.1107/S1600536808035782
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author Baryala, Yamna
Salem, Moussa
Essassi, El Mokhtar
Reuter, Hans
Izaaryene, Maher
author_facet Baryala, Yamna
Salem, Moussa
Essassi, El Mokhtar
Reuter, Hans
Izaaryene, Maher
author_sort Baryala, Yamna
collection PubMed
description The title compound, C(16)H(17)NO(5)S, was one of two condensation products from the reaction of 1-(1,3-benzothia­zol-2-yl)propan-2-one with methyl chloro­acetate. The non-H atoms in each of the four substituent groups on the central quaternary C atom are virtually coplanar. The maximum deviations from the least-squares planes are 0.015 (2) and 0.020 (2) Å for the methyl C atoms in the methyl acetate substituents and 0.033 (1) Å for the linked C atom of the benzothia­zole substituent. The S, C and N atoms in the thia­zole ring of the benzothia­zole substituent lie −0.037 (2), 0.046 (2) and −0.028 (2) Å, respectively, from the mean plane defined by the benzene ring atoms.
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spelling pubmed-29599392010-12-30 Dimethyl 3-acetyl-3-(1,3-benzothia­zol-2-yl)penta­nedioate Baryala, Yamna Salem, Moussa Essassi, El Mokhtar Reuter, Hans Izaaryene, Maher Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(16)H(17)NO(5)S, was one of two condensation products from the reaction of 1-(1,3-benzothia­zol-2-yl)propan-2-one with methyl chloro­acetate. The non-H atoms in each of the four substituent groups on the central quaternary C atom are virtually coplanar. The maximum deviations from the least-squares planes are 0.015 (2) and 0.020 (2) Å for the methyl C atoms in the methyl acetate substituents and 0.033 (1) Å for the linked C atom of the benzothia­zole substituent. The S, C and N atoms in the thia­zole ring of the benzothia­zole substituent lie −0.037 (2), 0.046 (2) and −0.028 (2) Å, respectively, from the mean plane defined by the benzene ring atoms. International Union of Crystallography 2008-11-08 /pmc/articles/PMC2959939/ /pubmed/21581268 http://dx.doi.org/10.1107/S1600536808035782 Text en © Baryala et al. 2008 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
Baryala, Yamna
Salem, Moussa
Essassi, El Mokhtar
Reuter, Hans
Izaaryene, Maher
Dimethyl 3-acetyl-3-(1,3-benzothia­zol-2-yl)penta­nedioate
title Dimethyl 3-acetyl-3-(1,3-benzothia­zol-2-yl)penta­nedioate
title_full Dimethyl 3-acetyl-3-(1,3-benzothia­zol-2-yl)penta­nedioate
title_fullStr Dimethyl 3-acetyl-3-(1,3-benzothia­zol-2-yl)penta­nedioate
title_full_unstemmed Dimethyl 3-acetyl-3-(1,3-benzothia­zol-2-yl)penta­nedioate
title_short Dimethyl 3-acetyl-3-(1,3-benzothia­zol-2-yl)penta­nedioate
title_sort dimethyl 3-acetyl-3-(1,3-benzothia­zol-2-yl)penta­nedioate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959939/
https://www.ncbi.nlm.nih.gov/pubmed/21581268
http://dx.doi.org/10.1107/S1600536808035782
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