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Crystal structure of (Z)-3-allyl-5-(4-chloro-benzyl-idene)-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

ABSTRACT: In the title compound, C13H10ClNOS2, the dihedral angle between the rhodanine (r.m.s. deviation = 0.008 Å) and 4-chloro-benzyl-idene rings is 1.79 (11)°. The allyl group attached to the N atom, which lies almost perpendicular to the rhodanine ring, is disordered over two orientations in a 0.519 (13):0.481 (13) ratio. A short intra-molecular C-H⋯S inter-action closes an S(6) ring. In the crystal, mol-ecules are linked by π-π stacking inter-actions [centroid-centroid separation = 3.600 (15) Å], generating inversion dimers.

SUBMITTER: El Ajlaoui R

PROVIDER: S-EPMC4719951 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of (Z)-3-allyl-5-(4-chloro-benzyl-idene)-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

El Ajlaoui Rahhal R Rakib El Mostapha el M Mojahidi Souad S Saadi Mohamed M El Ammari Lahcen L

Acta crystallographica. Section E, Crystallographic communications 20151206 Pt 12

In the title compound, C13H10ClNOS2, the dihedral angle between the rhodanine (r.m.s. deviation = 0.008 Å) and 4-chloro-benzyl-idene rings is 1.79 (11)°. The allyl group attached to the N atom, which lies almost perpendicular to the rhodanine ring, is disordered over two orientations in a 0.519 (13):0.481 (13) ratio. A short intra-molecular C-H⋯S inter-action closes an S(6) ring. In the crystal, mol-ecules are linked by π-π stacking inter-actions [centroid-centroid separation = 3.600 (15) Å], ge ...[more]

PMID: 26870470

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