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3-Benzyl-2-phenyl-1,3-thia-zolidin-4-one.

ABSTRACT: In the title compound, C(16)H(15)NOS, the thia-zolidine ring, which is essentially planar [maximum deviation = 0.071?(2)?Å], makes dihedral angles of 88.01?(8) and 87.21?(8)° with the terminal phenyl rings. The dihedral angle between the phenyl rings is 49.45?(5)°. In the crystal, mol-ecules are linked by a weak inter-molecular C-H?O hydrogen bond, forming a supra-molecular chain along the b axis. Furthermore, the crystal packing is stabilized by a weak C-H?? inter-action.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3201390 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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3-Benzyl-2-phenyl-1,3-thia-zolidin-4-one.

Fun Hoong-Kun HK Hemamalini Madhukar M Shanmugavelan Poovan P Ponnuswamy Alagusundaram A Jagatheesan Rathinavel R

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

In the title compound, C(16)H(15)NOS, the thia-zolidine ring, which is essentially planar [maximum deviation = 0.071 (2) Å], makes dihedral angles of 88.01 (8) and 87.21 (8)° with the terminal phenyl rings. The dihedral angle between the phenyl rings is 49.45 (5)°. In the crystal, mol-ecules are linked by a weak inter-molecular C-H⋯O hydrogen bond, forming a supra-molecular chain along the b axis. Furthermore, the crystal packing is stabilized by a weak C-H⋯π inter-action. ...[more]

PMID: 22064819

Similar Datasets

5-Benzyl-idene-3-phenyl-2-phenyl-imino-1,3-thia-zolidin-4-one.

Project description:The title compound, C(22)H(16)N(2)OS, is a chalcone analog with a thia-zolidinone core that was synthesized as a potential cytotoxic and anti-cancer agent. The structure is commensurately modulated by unit-cell doubling along the direction of the a axis of the cell. The two crystallographically independent mol-ecules are differerentiated by the dihedral angle between the mean planes of the benzyl-idene phenyl group against the thia-zolidin-4-one moiety, which is 5.01 (7)° in one mol-ecule, and 17.41 (6)° in the other. The two mol-ecules are otherwise close to being indistinguishable and are related by crystallographic pseudo-translation. The two mol-ecules are not planar but are slightly bent with the benzyl-idene and phenyl-imino substituents being bent upwards with respect to the center planes of the two mol-ecules. The degree of bending of the two halves of the thia-zolidin-4-one moieties (defined as the planes that inter-sect at the S atom) are 11.08 (7) and 15.88 (7)°. Packing of the mol-ecules is facilitated by C-H⋯π inter-actions and slipped π-π stacking between one of the phenyl rings and a neighboring ethylene π system [distance between the centroid of the ethylene group and the closest phenyl C atom = 3.267 (2) Å, Cg(phenyl)⋯Cg(ethylene) = 3.926 Å].

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