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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 |

REPOSITORIES: biostudies-literature

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

Project description:In the title compound, C13H10BrNOS2, the rhodanine (systematic name: 2-sulfanyl-idene-1,3-thia-zolidin-4-one) and the 3-bromo-benzyl-idene ring systems are inclined slightly, forming a dihedral angle of 5.86?(12)°. The rhodanine moiety is linked to an allyl group at the N atom and to the 3-bromo-benzyl-idene ring system. The allyl group, C=C-C, is nearly perpendicular to the mean plane through the rhodanine ring, maling a dihedral angle of 87.2?(5)°. In the crystal, mol-ecules are linked by pairs of C-H?O hydrogen bonds, forming inversion dimers with an R 2 (2)(10) ring motif.

| S-EPMC4719950 | 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

3-[(5-Chloro-2-hy-droxy-benzyl-idene)amino]-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

Project description:In the title compound, C10H7ClN2O2S2, the mean plane of the thioxo-thia-zolidine ring [maximum deviation = 0.032 (2) Å] is inclined to the benzene ring by 12.25 (4)°. There is a strong intra-molecular O-H⋯N hydrogen bond present. In the crystal, mol-ecules are linked via pairs of C-H⋯Cl hydrogen bonds, forming inversion dimers.

| S-EPMC3770396 | biostudies-literature

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

Project description:In the title compound, C14H13NOS2, the atoms of the allyl group are disordered over two sets of sites, with an occupancy ratio of 0.559?(10):0.441?(10). The rhodanine ring makes a dihedral angle of 5.51?(12)° with the mean plane through the p-tolyl group. There are no specific inter-molecular inter-actions in the crystal packing.

| S-EPMC4719873 | 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

Crystal structure of (E)-3-allyl-2-sulfanyl-idene-5-[(thio-phen-2-yl)methyl-idene]thia-zolidin-4-one.

Project description:Mol-ecules of the title compound, C11H9NOS3, are built up by one thio-phene and one 2-thioxa-thia-zolidin-4-one ring which are connected by a methyl-ene bridge. In addition, there is an allyl substituent attached to nitro-gen. The two rings are almost coplanar, making a dihedral angle between them of 0.76 (11)°. The allyl group is oriented perpendicular to the mean plane through both ring systems. The crystal structure exhibits inversion dimers in which mol-ecules are linked by pairs of C-H⋯O hydrogen bonds. Additional π-π inter-actions between neighboring thio-phene and 2-thioxa-thia-zolidin-4-one rings [inter-centroid distance = 3.694 (2) Å] lead to the formation of a three-dimensional network.

| S-EPMC4459307 | 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

(5S)-5-Methyl-3-phenyl-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

Project description:In the title mol-ecule, C(10)H(9)NOS(2), the 2-sulfanyl-idene-thia-zolidin-4-one mean plane and phenyl ring form a dihedral angle of 81.7?(1)°. In the crystal, C-H?? inter-actions link mol-ecules into helical chains in [010].

| S-EPMC3254396 | 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

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