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

ABSTRACT: 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.

SUBMITTER: Shahwar D

PROVIDER: S-EPMC2972004 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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

Shahwar Durre D Tahir M Nawaz MN Yasmeen Asma A Ahmad Naeem N Khan Muhammad Akmal MA

Acta crystallographica. Section E, Structure reports online 20091107 Pt 12

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⋯π and C=O⋯π inter-actions. ...[more]

PMID: 21578753

Similar Datasets

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-(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

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

(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

Crystal structures of 2,3-bis-(4-chloro-phen-yl)-1,3-thia-zolidin-4-one and trans-2,3-bis-(4-chloro-phen-yl)-1,3-thia-zolidin-4-one 1-oxide.

Project description:In the crystal structures of the title compounds, C15H11Cl2NOS, (1), and C15H11Cl2NO2S, (2), wherein (2) is the oxidized form of (1), the thia-zolidine ring is attached to two chloro-phenyl rings. The chloro-phenyl ring on the 2-carbon atom position points in the same direction as that of the S atom in (1), while in (2), the S atom points in the opposite direction. The O atom on the chiral S atom in (2) is trans to the chloro-phenyl ring on the 2-carbon. The chloro-phenyl ring planes in each structure are close to orthogonal, making dihedral angles of 78.61 (6) and 87.46 (8)° in (1) and (2), respectively. The thia-zolidine ring has a twisted conformation on the S-Cmethine bond in (1), and an envelope conformation with the S atom 0.715 (3) Å out of the plane of other four atoms in (2). In the crystal of (1), mol-ecules are linked by C-H⋯O hydrogen bonds, as well as by slipped parallel π-π inter-actions [inter-centroid distance = 3.840 (3) Å] between inversion-related phenyl rings, forming sheets parallel to (001). In the crystal of (2), mol-ecules are linked via C-H⋯O and C-H⋯Cl hydrogen bonds, forming slabs parallel to (001).

| S-EPMC4350739 | biostudies-literature

2-Imino-3-(2-nitro-phen-yl)-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(9)H(7)N(3)O(3)S, the nitro and thia-zolidinone moieties are inclined with respect to the aromatic ring at dihedral angles of 9.57 (16) and 78.42 (4)°, respectively. In the crystal, N-H⋯O hydrogen bonding connects the mol-ecules along the c and a axes to form a two-dimensional polymeric network. A weak S⋯O inter-action [3.2443 (11) Å] and phenyl ring to phenyl ring off-set π⋯π stacking [with centroid-centroid separation of 3.6890 (7) Å and ring slippage of 1.479 Å] link the polymeric chains along the b and a axes, respectively.

| S-EPMC3201377 | biostudies-literature

2-(4-Bromo-phen-yl)-3-(4-hy-droxy-phen-yl)-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(15)H(12)BrNO(2)S, the dihedral angle between the two aromatic rings is 87.81?(8)°. The five-membered thia-zolidine ring has an envelope conformation, with the S atom displaced by 0.4545?(7)?Å from the mean plane of the other four ring atoms. The crystal structure exhibits O-H?O, C-H?O, C-H?Br and C-H? ? inter-actions.

| S-EPMC3212296 | biostudies-literature

3-[5-(4-Fluoro-phen-yl)-1,3,4-thia-diazol-2-yl]-2-(4-methoxy-phen-yl)-1,3-thia-zolidin-4-one.

Project description:The title compound, C(18)H(14)FN(3)O(2)S(2), was synthesized by the reaction of 5-(4-fluoro-phen-yl)-N-(4-methoxy-benzyl-idene)-1,3,4-thia-diazol-2-amine and mercaptoacetic acid. The thia-zolidinone ring adopts a twist conformation. The 4-methoxy-phenyl ring is almost perpendicular to the thia-diazole ring, making a dihedral angle of 88.4?(3)°. The 4-fluoro-phenyl ring is nearly coplanar with the thia-diazole ring, the dihedral angle being 6.8?(3)°. The crystal structure involves C-H?N, C-H?O and C-H?S hydrogen bonds.

| S-EPMC2961680 | biostudies-literature

2-(4-Fluoro-phen-yl)-3-[5-(4-nitro-phen-yl)-1,3,4-thia-diazol-2-yl]-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(17)H(11)FN(4)O(3)S(2), the five-membered thia-zolidinone and thia-diazole rings are almost planar, with r.m.s. deviations of 0.017 and 0.0019 Å, respectively. The 4-fluoro-phenyl ring is almost perpendicular to the thia-diazole ring, making a dihedral angle of 89.5 (3)°. The 4-nitro-phenyl ring is nearly coplanar with the thia-diazole ring, the dihedral angle being 7.9 (3)°. The crystal structure is stabilized by two inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3007081 | biostudies-literature

2-(2,4-Dichloro-phen-yl)-3-[5-(4-methoxy-phen-yl)-1,3,4-thia-diazol-2-yl]-1,3-thia-zolidin-4-one.

Project description:In the mol-ecule of the title compound, C(18)H(13)Cl(2)N(3)O(2)S(2), the thia-zolidinone ring has an envelope conformation with the S atom displaced by 0.394 (3) Å from the plane of the other ring atoms. The thia-diazole ring is oriented at a dihedral angle of 7.40 (4)° with respect to the 4-methoxy-phenyl ring. Intra-molecular C-H⋯S, C-H⋯N and C-H⋯Cl hydrogen bonds result in the formation of two planar and two non-planar five-membered rings. The planar five-membered rings are oriented at a dihedral angle of 6.23 (3)°. The 2,4-dichloro-phenyl ring is oriented at dihedral angles of 84.21 (4) and 83.55 (3)° with respect to the thia-diazole and 4-methoxy-phenyl rings, respectively. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2961251 | biostudies-literature

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