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

ABSTRACT: 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.

SUBMITTER: Yu P

PROVIDER: S-EPMC3007081 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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

Yu Peng P An Kang K He Qiu Q Zhang Jian-Qaing JQ Wan Rong R

Acta crystallographica. Section E, Structure reports online 20100623 Pt 7

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. ...[more]

PMID: 21587954

Similar Datasets

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-(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.

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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.

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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 ??? 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

5-(3-Fluoro-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(8)H(6)FN(3)S, was synthesized by the reaction of 3-fluoro-benzoic acid and thio-semicarbazide. The dihedral angle between the planes of the thia-diazole and benzene rings is 37.3?(2)°. In the structure, two crystallographically independent mol-ecules form a centrosymmetric dimer, in which two inter-molecular N-H?N hydrogen bonds generate an R(2) (2)(8) motif.

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5-(2,3,4,5,6-Penta-fluoro-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(8)H(2)F(5)N(3)S, was synthesized by the reaction of perfluoro-benzoic acid and thio-semicarbazide. The dihedral angle between the thia-diazole and perfluoro-phenyl ring is 35.41?(6)°. In the crystal, inter-molecular N-H?N hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC3009109 | biostudies-literature

5-(4-Bromo-2-nitro-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(8)H(5)BrN(4)O(2)S, was synthesized by the reaction of 4-bromo-2-nitro-benzoic acid with thio-semi-carbazide. The dihedral angle between the thia-diazole and benzene rings is 40.5?(2)°. In the crystal, the strongest N-H?N inter-molecular hydrogen bond, between the amine group and one thia-diazole N atom, forms centrosymmetric dimers. The other amine H atom extends the supra-molecular network, forming an N-H?N contact with the other thia-diazole N atom.

| S-EPMC3200604 | biostudies-literature

Diethyl {(4-methoxy-phen-yl)[5-(4-nitro-phen-yl)-1,3,4-thia-diazol-2-ylamino]meth-yl}phospho-nate.

Project description:The title compound, C(20)H(23)N(4)O(6)PS, was synthesized by the reaction of N-(4-methoxy-benzyl-idene)-5-(4-nitro-phen-yl)-1,3,4-thia-diazol-2-amine and diethyl phosphite. The thia-diazole and nitro-substituted phenyl rings in the mol-ecule are approximately coplanar, the dihedral angle being 5.3?(2)°. The dihedral angle formed by the mean plane through all non-H atoms of both the thia-diazole and the nitro-substituted phenyl ring with the plane of the meth-oxy-substituted phenyl ring is 48.9?(2)°. In the crystal structure, mol-ecules form centrosymmetric dimers as a result of N-H?O bonds involving amine H and phosphine oxide O atoms.

| S-EPMC2962010 | 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.

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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 ?-? 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).

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