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

ABSTRACT: 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.

SUBMITTER: Shahwar D

PROVIDER: S-EPMC2971948 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-(4-Methyl-phen-yl)-2-thioxo-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(10)H(9)NOS(2), the toluene group and the 2-thioxo-1,3-thia-zolidin-4-one unit are planar with r.m.s. deviations of 0.0082 and 0.0136?Å, respectively. The dihedral angle between them is 71.20?(9)°. In the crystal, the mol-ecules are stabilized through inter-molecular C-H?O contacts, forming polymeric sheets extending parallel to the (01) plane. C-H?? contacts also occur.

| S-EPMC3007261 | biostudies-literature

3-(3-Methyl-phen-yl)-2-thioxo-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(10)H(9)NOS(2), the dihedral angle between the rhodanine (2-thioxo-1,3-thia-zolidin-4-one) and 3-methyl-phenyl rings is 83.30?(3)°. The H atoms of the methyl group are disordered over two set of sites with an occupancy ratio of 0.58?(3):0.42?(3). In the crystal, the mol-ecules inter-act by way of C-H?? and C=O?? inter-actions.

| S-EPMC2972004 | 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

(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

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

Project description: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.

| S-EPMC2971093 | biostudies-literature

3-(2-Methyl-phen-yl)-2-thioxo-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(10)H(9)NOS(2), the 1,3-thia-zolidine and 2-methyl-phenyl rings are oriented at a dihedral angle of 84.44?(9)°. In the crystal, an unusual bifurcated C-H?(O,?) inter-action leads to zigzag chains of mol-ecules.

| S-EPMC2972146 | biostudies-other

2,3-Diphenyl-1,3-thia-zolidin-4-one.

Project description:The title compound, C15H13NOS, is a chiral mol-ecule crystallized as a racemate, with two molecules in the asymmetric unit. In each of the mol-ecules, the five-membered thia-zine ring has an envelope conformation, with the S atom forming the flap. In one mol-ecule, the angle between the two phenyl-ring planes is 82.77?(7)°, while in the other it is 89.12?(6)°. In the crystal, mol-ecules are linked into chains along the b-axis direction by C-H?O hydrogen bonds.

| S-EPMC4158525 | 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-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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