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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 |
Sumario: | 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). |
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