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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...

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Autores principales: Akkurt, Mehmet, Gürsoy, Elif, Güzeldemirci, Nuray Ulusoy, Türktekin-Çelikesir, Sevim, Tahir, Muhammad Nawaz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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