3-(2-Amino-1,3-thia­zol-4-yl)-6-bromo-2H-chromen-2-one

The mol­ecule of the title compound, C(12)H(7)BrN(2)O(2)S, is essentially planar with a maximum deviation of 0.234 (3) Å from the mean plane through all non-H atoms. The dihedral angle between the coumarin ring plane and that of the five-membered thia­zole ring is 12.9 (1)°. In the crystal, strong N...

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Autores principales: Chopra, Deepak, Choudhury, A. R., Venugopala, K. N., Govender, Thavendran, Kruger, Hendrik G., Maguire, Glenn E. M., Guru Row, T. N.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971769/
https://www.ncbi.nlm.nih.gov/pubmed/21578780
http://dx.doi.org/10.1107/S1600536809046674
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author Chopra, Deepak
Choudhury, A. R.
Venugopala, K. N.
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
Guru Row, T. N.
author_facet Chopra, Deepak
Choudhury, A. R.
Venugopala, K. N.
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
Guru Row, T. N.
author_sort Chopra, Deepak
collection PubMed
description The mol­ecule of the title compound, C(12)H(7)BrN(2)O(2)S, is essentially planar with a maximum deviation of 0.234 (3) Å from the mean plane through all non-H atoms. The dihedral angle between the coumarin ring plane and that of the five-membered thia­zole ring is 12.9 (1)°. In the crystal, strong N—H⋯O, N—H⋯N and weak but highly directional C—H⋯O hydrogen bonds provide the links between the mol­ecules. In addition, C—H⋯π and π–π inter­actions [centroid–centroid distances = 3.950 (3)–4.024 (3) Å] provide additional stability to the inter­layer regions in the lattice.
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spelling pubmed-29717692010-12-30 3-(2-Amino-1,3-thia­zol-4-yl)-6-bromo-2H-chromen-2-one Chopra, Deepak Choudhury, A. R. Venugopala, K. N. Govender, Thavendran Kruger, Hendrik G. Maguire, Glenn E. M. Guru Row, T. N. Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecule of the title compound, C(12)H(7)BrN(2)O(2)S, is essentially planar with a maximum deviation of 0.234 (3) Å from the mean plane through all non-H atoms. The dihedral angle between the coumarin ring plane and that of the five-membered thia­zole ring is 12.9 (1)°. In the crystal, strong N—H⋯O, N—H⋯N and weak but highly directional C—H⋯O hydrogen bonds provide the links between the mol­ecules. In addition, C—H⋯π and π–π inter­actions [centroid–centroid distances = 3.950 (3)–4.024 (3) Å] provide additional stability to the inter­layer regions in the lattice. International Union of Crystallography 2009-11-11 /pmc/articles/PMC2971769/ /pubmed/21578780 http://dx.doi.org/10.1107/S1600536809046674 Text en © Chopra et al. 2009 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
Chopra, Deepak
Choudhury, A. R.
Venugopala, K. N.
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
Guru Row, T. N.
3-(2-Amino-1,3-thia­zol-4-yl)-6-bromo-2H-chromen-2-one
title 3-(2-Amino-1,3-thia­zol-4-yl)-6-bromo-2H-chromen-2-one
title_full 3-(2-Amino-1,3-thia­zol-4-yl)-6-bromo-2H-chromen-2-one
title_fullStr 3-(2-Amino-1,3-thia­zol-4-yl)-6-bromo-2H-chromen-2-one
title_full_unstemmed 3-(2-Amino-1,3-thia­zol-4-yl)-6-bromo-2H-chromen-2-one
title_short 3-(2-Amino-1,3-thia­zol-4-yl)-6-bromo-2H-chromen-2-one
title_sort 3-(2-amino-1,3-thia­zol-4-yl)-6-bromo-2h-chromen-2-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971769/
https://www.ncbi.nlm.nih.gov/pubmed/21578780
http://dx.doi.org/10.1107/S1600536809046674
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