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2-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[8-(4-hydroxyphenyl)-2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl]acetamide ethanol disolvate
In the title compound, C(28)H(27)BrN(4)O(3)S(2)·2C(2)H(6)O, the cyclohexane ring adopts a chair conformation. The imidazo[2,1-b][1,3]thiazole ring system is essentially planar with a dihedral angle of 1.1 (2)° between the thiazole and imidazole rings. The mean plane of this ring system makes dihe...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344614/ https://www.ncbi.nlm.nih.gov/pubmed/22590376 http://dx.doi.org/10.1107/S1600536812015371 |
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author | Akkurt, Mehmet Gürsoy, Elif Güzeldemirci, Nuray Ulusoy Türktekin-Çelikesir, Sevim Tahir, Muhammad Nawaz |
author_facet | Akkurt, Mehmet Gürsoy, Elif Güzeldemirci, Nuray Ulusoy Türktekin-Çelikesir, Sevim Tahir, Muhammad Nawaz |
author_sort | Akkurt, Mehmet |
collection | PubMed |
description | In the title compound, C(28)H(27)BrN(4)O(3)S(2)·2C(2)H(6)O, the cyclohexane ring adopts a chair conformation. The imidazo[2,1-b][1,3]thiazole ring system is essentially planar with a dihedral angle of 1.1 (2)° between the thiazole and imidazole rings. The mean plane of this ring system makes dihedral angles of 8.11 (16) and 79.43 (17)°, respectively, with the bromo- and hydroxy-substituted benzene rings. In the 5-methyl-1,3-thiazolidin-4-one group, the S atom, the methyl group and the ring C atoms bonded to them are disordered over two sets of sites with refined occupancies of 0.610 (19) and 0.390 (19). The crystal structure features N—H⋯O, O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds and C—H⋯π interactions. Furthermore, two weak π–π stacking interactions [centroid–centroid distances = 3.967 (3) and 3.892 (2) Å] are also observed. |
format | Online Article Text |
id | pubmed-3344614 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33446142012-05-15 2-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[8-(4-hydroxyphenyl)-2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl]acetamide ethanol disolvate Akkurt, Mehmet Gürsoy, Elif Güzeldemirci, Nuray Ulusoy Türktekin-Çelikesir, Sevim Tahir, Muhammad Nawaz Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(28)H(27)BrN(4)O(3)S(2)·2C(2)H(6)O, the cyclohexane ring adopts a chair conformation. The imidazo[2,1-b][1,3]thiazole ring system is essentially planar with a dihedral angle of 1.1 (2)° between the thiazole and imidazole rings. The mean plane of this ring system makes dihedral angles of 8.11 (16) and 79.43 (17)°, respectively, with the bromo- and hydroxy-substituted benzene rings. In the 5-methyl-1,3-thiazolidin-4-one group, the S atom, the methyl group and the ring C atoms bonded to them are disordered over two sets of sites with refined occupancies of 0.610 (19) and 0.390 (19). The crystal structure features N—H⋯O, O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds and C—H⋯π interactions. Furthermore, two weak π–π stacking interactions [centroid–centroid distances = 3.967 (3) and 3.892 (2) Å] are also observed. International Union of Crystallography 2012-04-21 /pmc/articles/PMC3344614/ /pubmed/22590376 http://dx.doi.org/10.1107/S1600536812015371 Text en © Akkurt 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 Akkurt, Mehmet Gürsoy, Elif Güzeldemirci, Nuray Ulusoy Türktekin-Çelikesir, Sevim Tahir, Muhammad Nawaz 2-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[8-(4-hydroxyphenyl)-2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl]acetamide ethanol disolvate |
title | 2-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[8-(4-hydroxyphenyl)-2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl]acetamide ethanol disolvate |
title_full | 2-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[8-(4-hydroxyphenyl)-2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl]acetamide ethanol disolvate |
title_fullStr | 2-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[8-(4-hydroxyphenyl)-2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl]acetamide ethanol disolvate |
title_full_unstemmed | 2-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[8-(4-hydroxyphenyl)-2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl]acetamide ethanol disolvate |
title_short | 2-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[8-(4-hydroxyphenyl)-2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl]acetamide ethanol disolvate |
title_sort | 2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-n-[8-(4-hydroxyphenyl)-2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl]acetamide ethanol disolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344614/ https://www.ncbi.nlm.nih.gov/pubmed/22590376 http://dx.doi.org/10.1107/S1600536812015371 |
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