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(5Z)-5-(2-Hydroxy-benzyl-idene)-3-phenyl-2-thioxo-1,3-thia-zolidin-4-one.

ABSTRACT: In the title compound, C(16)H(11)NO(2)S(2), the dihedral angles between the heterocyclic ring and the phenyl and anilinic benzene rings are 9.68 (13) and 79.26 (6)°, respectively, and an intra-molecular C-H⋯S inter-action occurs. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds occur, leading to R(2) (2)(10) loops, and C-H⋯O and weak C-H⋯π inter-actions further consolidate the packing.

SUBMITTER: Shahwar D

PROVIDER: S-EPMC2971093 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(5Z)-5-(2-Hydroxy-benzyl-idene)-2-thioxo-1,3-thia-zolidin-4-one methanol hemisolvate.

Project description:In the title compound, C(10)H(7)NO(2)S(2)·0.5CH(3)OH, the dihedral angle between the aromatic rings is 11.43?(11)° and a short intra-molecular C-H?S contact occurs. The methanol solvent mol-ecule is equally disordered over two sets of sites. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds occur. The methanol solvent mol-ecule connects the dimers through O-H?S and O-H?O inter-molecular hydrogen bonds. Further stability is afforded by C-H?? and ?-? inter-actions [centroid-centroid separation = 3.5948?(13)?Å].

| S-EPMC2971136 | biostudies-literature

(5Z)-5-(2-Methyl-benzyl-idene)-3-phenyl-2-thioxo-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(17)H(13)NOS(2), the heterocyclic ring is oriented at a dihedral angle of 74.43?(5)° with respect to the anilinic benzene ring and at a dihedral angle of 17.31?(9)° with respect to phenyl ring. An intra-molecular C-H?S inter-action occurs, resulting in an S(6) ring. In the crystal, the packing is consolidated by C-H?? inter-actions and possible very weak aromatic ?-? stacking [centroid-centroid separation = 4.025?(1)?Å].

| S-EPMC2971373 | biostudies-literature

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].

| S-EPMC3152016 | biostudies-literature

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

Project description: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.

| S-EPMC3201390 | biostudies-literature

(5Z)-5-(2-Hy-droxy-benzyl-idene)-3-(4-methyl-phen-yl)-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(17)H(13)NO(2)S(2), the dihedral angles between the 2-sulfanyl-idene-1,3-thia-zolidin-4-one group and the pendant toluene and 2-hy-droxy-benzene rings are 74.62?(6) and 8.73?(12)°, respectively. An intra-molecular C-H?S inter-action occurs. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds generate R(2) (2)(16) loops. This link is reinforced by a pair of C-H?O hydrogen bonds. The dimers are connected by weak C-H?S inter-actions.

| S-EPMC3379392 | biostudies-literature

3-Benzyl-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(10)H(9)NOS(2), the five-membered heterocyclic ring and the benzyl moiety are oriented at a dihedral angle of 77.25?(4)°. In the crystal, infinite polymeric C(6) chains extending along [001] are formed due to C-H?O hydrogen bonds. C-H?? inter-actions link the chains, building up a three-dimensional network.

| S-EPMC3050282 | biostudies-literature

(5E)-5-(4-Hydr-oxy-3-methoxy-benzyl-idene)-2-thioxo-1,3-thia-zolidin-4-one methanol monosolvate.

Project description:In the title compound, C(11)H(9)NO(3)S(2)·CH(4)O, the dihedral angle between the aromatic rings is 3.57?(16)° and intra-molecular O-H?O and C-H?S inter-actions occur. In the crystal, the thia-zolidin-4-one mol-ecules are linked by N-H?O hydrogen bonds, forming chains. The hydrogen-bond motifs lead to S(5), S(6) and R(3) (3)(8) ring motifs. There exist C=O?? inter-actions between the heterocyclic rings and ?-? inter-actions between the heterocyclic and benzene rings at distances of 3.455?(2) and 3.602?(2)?Å, respectively. The methanol solvent mol-ecule is disordered over two sets of sites in a 0.542?(9):0.458?(9) ratio.

| S-EPMC2971307 | biostudies-literature

3-Phenyl-2-thioxo-1,3-thia-zolidin-4-one.

Project description:In the mol-ecule of the title compound, C(9)H(7)NOS(2), the heterocycle and the phenyl ring are oriented at a dihedral angle of 72.3?(1)°. Adjacent mol-ecules are connected through C-H?O inter-actions.

| S-EPMC2959314 | biostudies-other

3-Benzyl-5-benzyl-idene-2-sulfanylidene-1,3-thia-zolidin-4-one.

Project description:In the title mol-ecule, C(17)H(13)NOS(2), the essentially planar thia-zole ring (r.m.s deviation 0.005?Å) forms dihedral angles of 16.85?(8)° and 75.02?(8)° with the phenyl rings. The dihedral angle between the two phenyl rings is 61.95?(9)°.

| S-EPMC3213525 | biostudies-literature

3-Cyclo-hexyl-2-thioxo-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(9)H(13)NOS(2), the complete mol-ecule is generated by crystallographic mirror symmetry, with all the non-H atoms of the rhodanine (2-thioxo-1,3-thia-zolidin-4-one) system and two C atoms of the cyclo-hexyl ring lying on the reflecting plane. The conformation is stabilized by intra-molecular C-H⋯O and C-H⋯S inter-actions. In the crystal, weak π-π inter-actions at a distance of 3.8140 (5) Å between the centroids of the heterocyclic rings occur.

| S-EPMC2971948 | biostudies-literature

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