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

ABSTRACT: 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.

SUBMITTER: Sun XJ

PROVIDER: S-EPMC2915275 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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

Sun Xiao-Jun XJ Zhou Jian-Feng JF

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

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. ...[more]

PMID: 21200780

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-[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

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

Project description: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.

| S-EPMC2969045 | biostudies-literature

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

Project description:The title compound, C(19)H(15)Cl(2)N(3)OS(2), was synthesized by the reaction of N-(2,4-dichloro-phen-yl)-5-(3,5-dimethyl-phen-yl)-1,3,4-thia-diazol-2-amine and mercaptoacetic acid. The thia-zolidinone ring adopts a twist conformation. The 2,4-dichloro-phenyl ring is almost perpendicular to the thia-diazole ring, the dihedral angle being 82.8 (2)°. The 3,5-dimethyl-phenyl ring is nearly coplanar with the thia-diazole ring, the dihedral angle being 2.7 (2)°. An intramolecular C-H⋯N hydrogen bond is present.

| S-EPMC2924216 | biostudies-literature

(Z)-3-(4-Chloro-phen-yl)-2-(2-phenyl-cyclo-hex-2-en-1-yl-imino)-thia-zolidin-4-one.

Project description:The title compound, C(21)H(19)ClN(2)OS, exists in a cis conformation with respect to the N=C bond [1.2608?(13)?Å]. The cyclo-hexene ring adopts a distorted half-chair conformation. The thia-zolidine ring is close to being planar (r.m.s. deviation = 0.057?Å) and makes dihedral angles of 62.92?(6) and 56.32?(6)°, respectively, with the benzene ring and the chloro-substituted benzene ring. The dihedral angle between the benzene ring and the chloro-substituted benzene ring is 72.91?(6)°. In the crystal, mol-ecules are linked by C-H?O and C-H?N hydrogen bonds into undulating sheets lying parallel to the bc plane. The crystal is further consolidated by C-H?? inter-actions.

| S-EPMC3393272 | biostudies-literature

2-(2-Chloro-3-quinol-yl)-3-phenyl-thia-zolidin-4-one.

Project description:In the title compound, C(18)H(13)ClN(2)OS, the thia-zolidinone ring is slightly distorted and adopts a envelope conformation. The basal plane is nearly perpendicular to the quinoline ring, forming a dihedral angle of 86.1?(1)°, and makes a dihedral angle of 14.9?(1)° to the benzene ring. The benzene ring is also nearly perpendicular to the quinoline ring, forming a dihedral angle of 89.4?(1)°. In the crystal, non-classical C-H?O and C-H?N hydrogen bonds link the mol-ecules, forming polymers along b.

| S-EPMC2971196 | 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

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