5-Benzyl-idene-3-phenyl-2-phenyl-imino-1,3-thia-zolidin-4-one.
Acta Crystallogr Sect E Struct Rep Online
; 67(Pt 7): o1781-2, 2011 Jul 01.
Article
in En
| MEDLINE
| ID: mdl-21837156
ABSTRACT
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 5.01â
(7)° in one mol-ecule, and 17.41â
(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 11.08â
(7) and 15.88â
(7)°. Packing of the mol-ecules is facilitated by C-Hâ¯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 = 3.267â
(2)â
Å, Cg(phenyl)â¯Cg(ethylene) = 3.926â
Å].
Full text:
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Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Acta Crystallogr Sect E Struct Rep Online
Year:
2011
Document type:
Article