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2-(2,4-Dichloro-phen-yl)-3-[5-(4-methoxy-phen-yl)-1,3,4-thia-diazol-2-yl]-1,3-thia-zolidin-4-one.


ABSTRACT: In the mol-ecule of the title compound, C(18)H(13)Cl(2)N(3)O(2)S(2), the thia-zolidinone ring has an envelope conformation with the S atom displaced by 0.394?(3)?Å from the plane of the other ring atoms. The thia-diazole ring is oriented at a dihedral angle of 7.40?(4)° with respect to the 4-methoxy-phenyl ring. Intra-molecular C-H?S, C-H?N and C-H?Cl hydrogen bonds result in the formation of two planar and two non-planar five-membered rings. The planar five-membered rings are oriented at a dihedral angle of 6.23?(3)°. The 2,4-dichloro-phenyl ring is oriented at dihedral angles of 84.21?(4) and 83.55?(3)° with respect to the thia-diazole and 4-methoxy-phenyl rings, respectively. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

SUBMITTER: Wan R 

PROVIDER: S-EPMC2961251 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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2-(2,4-Dichloro-phen-yl)-3-[5-(4-methoxy-phen-yl)-1,3,4-thia-diazol-2-yl]-1,3-thia-zolidin-4-one.

Wan Rong R   Yin Li-He LH   Han Feng F   Wang Bin B   Wang Jin-Tang JT  

Acta crystallographica. Section E, Structure reports online 20080404 Pt 5


In the mol-ecule of the title compound, C(18)H(13)Cl(2)N(3)O(2)S(2), the thia-zolidinone ring has an envelope conformation with the S atom displaced by 0.394 (3) Å from the plane of the other ring atoms. The thia-diazole ring is oriented at a dihedral angle of 7.40 (4)° with respect to the 4-methoxy-phenyl ring. Intra-molecular C-H⋯S, C-H⋯N and C-H⋯Cl hydrogen bonds result in the formation of two planar and two non-planar five-membered rings. The planar five-membered rings are oriented at a dihe  ...[more]

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