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Crystal structure of methyl 2-hy-droxy-5-[(4-oxo-4,5-di-hydro-1,3-thia-zol-2-yl)amino]benzoate.

ABSTRACT: The title compound, C11H10N2O4S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. They differ primarily in the rotational orientation of the five-membered heterocyclic ring. In mol-ecule A this ring is inclined to the benzene ring by 48.17?(8)°, while in mol-ecule B the same dihedral angle is 23.07?(8)°. In each mol-ecule there is an intra-molecular O-H?O hydrogen bond involving the adjacent hydroxyl group and the ester carbonyl O atom. In the crystal, the A mol-ecules are linked via pairs of N-H?N hydrogen bonds, forming inversion dimers. These dimers are linked to the B mol-ecules via N-H.·O, C-H?O and C-H?S hydrogen bonds forming corrugated sheets lying parallel to (102).

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC4420109 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature

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Crystal structure of methyl 2-hy-droxy-5-[(4-oxo-4,5-di-hydro-1,3-thia-zol-2-yl)amino]benzoate.

Mohamed Shaaban K SK Mague Joel T JT Akkurt Mehmet M Abdu-Allah Hajjaj H M HH Albayati Mustafa R MR

Acta crystallographica. Section E, Crystallographic communications 20150409 Pt 5

The title compound, C11H10N2O4S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. They differ primarily in the rotational orientation of the five-membered heterocyclic ring. In mol-ecule A this ring is inclined to the benzene ring by 48.17 (8)°, while in mol-ecule B the same dihedral angle is 23.07 (8)°. In each mol-ecule there is an intra-molecular O-H⋯O hydrogen bond involving the adjacent hydroxyl group and the ester carbonyl O atom. In the crystal, the A mol-ecu ...[more]

PMID: 25995905

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