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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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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. |
format | Text |
id | pubmed-2959939 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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