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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.

ABSTRACT: 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.

SUBMITTER: Wan R

PROVIDER: S-EPMC2924216 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

N-{N-[5-(2,4-Dichloro-phen-yl)-1,3,4-thia-diazol-2-yl]carbamo-yl}-2,6-difluoro-benzamide.

Project description:In the title compound, C(16)H(8)Cl(2)F(2)N(4)O(2)S, the thia-diazole ring makes dihedral angles of 24.94?(14) and 48.11?(14)°, respectively, with the dichloro- and difluoro-substituted benzene rings. An intra-molecular N-H?O hydrogen bond results in the formation of a planar (mean deviation 0.0091?Å) six-membered ring. In the crystal structure, mol-ecules form centrosymmetric dimers through pairs of inter-molecular N-H?O hydrogen bonds.

| S-EPMC2971195 | biostudies-literature

5-(2,4-Dichloro-phenoxy-meth-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(9)H(7)Cl(2)N(3)OS, was synthesized by the reaction of 2,4-dichloro-phenoxy-acetic acid and thio-semicarbazide. The dihedral angle between the thia-diazole and benzene rings is 21.5?(2)°. In the crystal, inter-molecular N-H?N hydrogen bonding links the mol-ecules into chains along the b axis.

| S-EPMC2977151 | biostudies-literature

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

Project description:The title compound, C(20)H(22)Cl(2)N(3)O(4)PS, was synthesized by the reaction of N-(4-methoxy-benzyl-idene)-5-(2,4-dichloro-phenyl)-1,3,4-thia-diazol-2-amine and diethyl phosphite. In the crystal, inter-molecular C-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules.

| S-EPMC2977678 | 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-[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

N-(3,5-Dichloro-phen-yl)-2,4-dimethyl-benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(14)H(13)Cl(2)NO(2)S, the conformation of the N-C bond in the C-SO(2)-NH-C segment has gauche torsions with respect to the S=O bonds. The mol-ecule is bent at the N atom, with an C-SO(2)-NH-C torsion angle of -54.9?(3)°. The two benzene rings are tilted relative to each other by 82.3?(2)°. The mol-ecules are linked into centrosymmetric R(2) (2)(8) motifs by N-H?O hydrogen bonds and C-H?? inter-actions along [100].

| S-EPMC2979206 | biostudies-literature

2,4-Dichloro-N-(3,5-dimethyl-phen-yl)benzene-sulfonamide.

Project description:In the crystal of the title compound, C(14)H(13)Cl(2)NO(2)S, the N-H bond in the C-SO(2)-NH-C segment is syn to one of the meta-methyl groups in the aniline benzene ring and anti to the other. Further, the conformation of the N-C bond in the C-SO(2)-NH-C segment is gauche with respect to the S=O bonds. The C-SO(2)-NH-C torsion angle is 54.9 (2)°. The sulfonyl and aniline benzene rings are tilted relative to each other by 82.8 (1)°. The crystal structure features inversion-related dimers linked by pairs of N-H⋯O hydrogen bonds. There are also weak C-H⋯O hydrogen bonds between these dimers.

| S-EPMC3247580 | biostudies-literature

3,5-Dimethyl-1-{2-[(5-methyl-1,3,4-thia-diazol-2-yl)sulfan-yl]acet-yl}-2,6-diphenylpiperidin-4-one.

Project description:In the title compound, C24H25N3O2S2, the piperidine ring adopts a distorted boat conformation. The phenyl rings subtend angles of 75.6 (1)° and 86.3 (1)° with the mean plane of the piperidine ring. In the crystal, mol-ecules are linked through a network C-H⋯N hydrogen bonds, forming zigzag chains along [100]. The thia-diazol ring methyl group is disordered over two positions with an occupancy ratio of 0.69 (4):0.31 (4).

| S-EPMC3684930 | biostudies-literature

2-(2,4-Dichloro-phen-oxy-meth-yl)-5-(4-methyl-phen-yl)imidazo[2,1-b][1,3,4]thia-diazole.

Project description:In the title compound, C18H13Cl2N3OS, the eight atoms comprising the central imidazo/thia-diazo-lethia-diazole residue are coplanar (r.m.s. deviation = 0.009?Å). The dihedral angle of 8.72?(13)° between the dichloro-benzene and tolyl rings reflects a twist about the O-C(benzene) bond; the Cm-O-Cb-Cb torsion angle = -168.5?(2)° (m = methyl-ene C and b is benzene C). Supra-molecular tapes along the b axis are found in the crystal structure which are mediated by ?-? inter-actions occurring between centrosymmetrically related thia-diazole rings [inter-ring centroid distance = 3.6907?(16)?Å] and between the benzene and tolyl rings [inter-ring centroid distance = 3.7597?(16)?Å].

| S-EPMC3588533 | biostudies-literature

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