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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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 |
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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 |
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