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Crystal structures of two thia-zolidinone derivatives bearing a tri-chloro-methyl substituent at the 2-position.

ABSTRACT: The title compounds 2-tri-chloro-methyl-3-phenyl-1,3-thia-zolidin-4-one (C10H8Cl3NOS), 1 and 3-(4-chloro-phen-yl)-2-tri-chloro-methyl-1,3-thia-zolidin-4-one (C10H7Cl4NOS) 2, are structurally related with one atom substitution difference in the para position of the benzene ring. In both structures, the thia-zolidinone ring adopts an envelope conformation with the S atom as the flap. The dihedral angles between the rings [48.72?(11) in 1 and 48.42?(9)° in 2] are very similar and the mol-ecules are almost superimposable. In both crystal structures, C-H?O 'head-to-tail' inter-actions between the chiral carbon atoms and the thia-zolidinone oxygen atoms result in infinite monochiral chains along the direction of the shortest unit-cell parameter, namely a in 1 and b in 2. C-H?? inter-actions between the thia-zolidinone carbon atom at the 4-position and the phenyl ring of the neighboring enanti-omer also help to stabilize the packing in each case, although the crystals are not isostructural.

SUBMITTER: Nuriye A 

PROVIDER: S-EPMC6176436 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature

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Crystal structures of two thia-zolidinone derivatives bearing a tri-chloro-methyl substituent at the 2-position.

Nuriye Ahmed A   Yennawar Hemant H   Cannon Kevin K   Tierney John J  

Acta crystallographica. Section E, Crystallographic communications 20180928 Pt 10

The title compounds 2-tri-chloro-methyl-3-phenyl-1,3-thia-zolidin-4-one (C<sub>10</sub>H<sub>8</sub>Cl<sub>3</sub>NOS), <b>1</b> and 3-(4-chloro-phen-yl)-2-tri-chloro-methyl-1,3-thia-zolidin-4-one (C<sub>10</sub>H<sub>7</sub>Cl<sub>4</sub>NOS) <b>2</b>, are structurally related with one atom substitution difference in the <i>para</i> position of the benzene ring. In both structures, the thia-zolidinone ring adopts an envelope conformation with the S atom as the flap. The dihedral angles between  ...[more]

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