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2-(4-Chloro-phen-yl)-3-p-tolyl-1,3-thia-zolidin-4-one.

ABSTRACT: The title compound, C(16)H(14)ClNOS, a potent anti-bacterial chemical, features a dihedral angle of 49.4?(1)° between the 4-tolyl and thia-zolidinone rings, and a dihedral angle of 87.2?(5)° between the thia-zolidinone and 4-chloro-phenyl rings.

SUBMITTER: Sun XJ

PROVIDER: S-EPMC2969045 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

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2-(4-Chloro-phen-yl)-3-p-tolyl-1,3-thia-zolidin-4-one.

Sun Xiao-Jun XJ Zhou Jian-Feng JF Zhang Zai-Chao ZC Wang Yu-Jie YJ

Acta crystallographica. Section E, Structure reports online 20090325 Pt 4

The title compound, C(16)H(14)ClNOS, a potent anti-bacterial chemical, features a dihedral angle of 49.4 (1)° between the 4-tolyl and thia-zolidinone rings, and a dihedral angle of 87.2 (5)° between the thia-zolidinone and 4-chloro-phenyl rings. ...[more]

PMID: 21582585

Similar Datasets

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

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

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

3-(3-Chloro-4-methyl-phen-yl)-2-(4-fluoro-phen-yl)thia-zolidin-4-one.

Project description:The title compound, C(16)H(13)ClFNOS, possesses potent anti-bacterial activity. The overall mol-ecular conformation is described by the dihedral angles of 43.0 (1)° between the 3-chloro-4-methyl-benzene and thia-zolidinone rings, and 88.8 (5)° between the thia-zolidinone and 4-fluoro-benzene rings. The 3-chloro-4-methyl-benzene ring is disordered over two positions with occupancy factors approximately 3:1.

| S-EPMC2915275 | 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

3-(2H-1,3-Benzodioxol-5-ylmeth-yl)-2-(2-meth-oxy-phen-yl)-1,3-thia-zolidin-4-one.

Project description:The title mol-ecule, C(18)H(17)NO(4)S, features a 1,3-thia-zolidine ring that is twisted about the S-C(methyl-ene) bond. With reference to this ring, the 1,3-benzodioxole and benzene rings lie to either side and form dihedral angles of 69.72?(16) and 83.60?(14)°, respectively, with the central ring. Significant twisting in the mol-ecule is confirmed by the dihedral angle of 79.91?(13)° formed between the outer rings. Linear supra-molecular chains along the a-axis direction mediated by C-H?O inter-actions feature in the crystal packing.

| S-EPMC3247375 | biostudies-literature

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