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2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluoro-benz-yl)-3,4-dihydro-2H-1,2,4-benzothia-diazin-4-yl]acetic acid.

ABSTRACT: In the mol-ecule of the title compound, C(16)H(12)ClF(3)N(2)O(4)S, the thia-diazine ring adopts a half-chair conformation. The dihedral angle between the benzene ring of the benzothia-diazine ring system and trifluoro-phenyl group is 15.02?(7)°. In the crystal, centrosymmetrically related mol-ecules are linked into dimers via pairs of O-H?O hydrogen bonds, generating R(2) (2)(8) ring motifs. The dimers are further connected into a three-dimensional network by C-H?O hydrogen bonds.

SUBMITTER: Yang Y

PROVIDER: S-EPMC3344495 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluoro-benz-yl)-3,4-dihydro-2H-1,2,4-benzothia-diazin-4-yl]acetic acid.

Yang Yanchun Y Guo Yuhua Y Zhu Changjin C

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

In the mol-ecule of the title compound, C(16)H(12)ClF(3)N(2)O(4)S, the thia-diazine ring adopts a half-chair conformation. The dihedral angle between the benzene ring of the benzothia-diazine ring system and trifluoro-phenyl group is 15.02 (7)°. In the crystal, centrosymmetrically related mol-ecules are linked into dimers via pairs of O-H⋯O hydrogen bonds, generating R(2) (2)(8) ring motifs. The dimers are further connected into a three-dimensional network by C-H⋯O hydrogen bonds. ...[more]

PMID: 22590257

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