Cargando…

Crystal structure of methyl 2-hy­droxy-5-[(4-oxo-4,5-di­hydro-1,3-thia­zol-2-yl)amino]benzoate

The title compound, C(11)H(10)N(2)O(4)S, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. They differ primarily in the rotational orientation of the five-membered heterocyclic ring. In mol­ecule A this ring is inclined to the benzene ring by 48.17 (8)°, while in mol­ecu...

Descripción completa

Detalles Bibliográficos
Autores principales: Mohamed, Shaaban K., Mague, Joel T., Akkurt, Mehmet, Abdu-Allah, Hajjaj H. M., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420109/
https://www.ncbi.nlm.nih.gov/pubmed/25995905
http://dx.doi.org/10.1107/S2056989015006416
_version_ 1782369672116568064
author Mohamed, Shaaban K.
Mague, Joel T.
Akkurt, Mehmet
Abdu-Allah, Hajjaj H. M.
Albayati, Mustafa R.
author_facet Mohamed, Shaaban K.
Mague, Joel T.
Akkurt, Mehmet
Abdu-Allah, Hajjaj H. M.
Albayati, Mustafa R.
author_sort Mohamed, Shaaban K.
collection PubMed
description The title compound, C(11)H(10)N(2)O(4)S, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. They differ primarily in the rotational orientation of the five-membered heterocyclic ring. In mol­ecule A this ring is inclined to the benzene ring by 48.17 (8)°, while in mol­ecule B the same dihedral angle is 23.07 (8)°. In each mol­ecule there is an intra­molecular O—H⋯O hydrogen bond involving the adjacent hydroxyl group and the ester carbonyl O atom. In the crystal, the A mol­ecules are linked via pairs of N—H⋯N hydrogen bonds, forming inversion dimers. These dimers are linked to the B mol­ecules via N—H.·O, C—H⋯O and C—H⋯S hydrogen bonds forming corrugated sheets lying parallel to (102).
format Online
Article
Text
id pubmed-4420109
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-44201092015-05-20 Crystal structure of methyl 2-hy­droxy-5-[(4-oxo-4,5-di­hydro-1,3-thia­zol-2-yl)amino]benzoate Mohamed, Shaaban K. Mague, Joel T. Akkurt, Mehmet Abdu-Allah, Hajjaj H. M. Albayati, Mustafa R. Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(11)H(10)N(2)O(4)S, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. They differ primarily in the rotational orientation of the five-membered heterocyclic ring. In mol­ecule A this ring is inclined to the benzene ring by 48.17 (8)°, while in mol­ecule B the same dihedral angle is 23.07 (8)°. In each mol­ecule there is an intra­molecular O—H⋯O hydrogen bond involving the adjacent hydroxyl group and the ester carbonyl O atom. In the crystal, the A mol­ecules are linked via pairs of N—H⋯N hydrogen bonds, forming inversion dimers. These dimers are linked to the B mol­ecules via N—H.·O, C—H⋯O and C—H⋯S hydrogen bonds forming corrugated sheets lying parallel to (102). International Union of Crystallography 2015-04-09 /pmc/articles/PMC4420109/ /pubmed/25995905 http://dx.doi.org/10.1107/S2056989015006416 Text en © Mohamed et al. 2015 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 Data Reports
Mohamed, Shaaban K.
Mague, Joel T.
Akkurt, Mehmet
Abdu-Allah, Hajjaj H. M.
Albayati, Mustafa R.
Crystal structure of methyl 2-hy­droxy-5-[(4-oxo-4,5-di­hydro-1,3-thia­zol-2-yl)amino]benzoate
title Crystal structure of methyl 2-hy­droxy-5-[(4-oxo-4,5-di­hydro-1,3-thia­zol-2-yl)amino]benzoate
title_full Crystal structure of methyl 2-hy­droxy-5-[(4-oxo-4,5-di­hydro-1,3-thia­zol-2-yl)amino]benzoate
title_fullStr Crystal structure of methyl 2-hy­droxy-5-[(4-oxo-4,5-di­hydro-1,3-thia­zol-2-yl)amino]benzoate
title_full_unstemmed Crystal structure of methyl 2-hy­droxy-5-[(4-oxo-4,5-di­hydro-1,3-thia­zol-2-yl)amino]benzoate
title_short Crystal structure of methyl 2-hy­droxy-5-[(4-oxo-4,5-di­hydro-1,3-thia­zol-2-yl)amino]benzoate
title_sort crystal structure of methyl 2-hy­droxy-5-[(4-oxo-4,5-di­hydro-1,3-thia­zol-2-yl)amino]benzoate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420109/
https://www.ncbi.nlm.nih.gov/pubmed/25995905
http://dx.doi.org/10.1107/S2056989015006416
work_keys_str_mv AT mohamedshaabank crystalstructureofmethyl2hydroxy54oxo45dihydro13thiazol2ylaminobenzoate
AT maguejoelt crystalstructureofmethyl2hydroxy54oxo45dihydro13thiazol2ylaminobenzoate
AT akkurtmehmet crystalstructureofmethyl2hydroxy54oxo45dihydro13thiazol2ylaminobenzoate
AT abduallahhajjajhm crystalstructureofmethyl2hydroxy54oxo45dihydro13thiazol2ylaminobenzoate
AT albayatimustafar crystalstructureofmethyl2hydroxy54oxo45dihydro13thiazol2ylaminobenzoate