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

ABSTRACT: 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).

SUBMITTER: Ganesan S

PROVIDER: S-EPMC3684930 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-5-(3,5-Dimethyl-phen-yl)-N-[4-(methyl-sulfan-yl)benzyl-idene]-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(18)H(17)N(3)S(2), was synthesized by the reaction of 5-(3,5-dimethyl-phen-yl)-1,3,4-thia-diazol-2-amine and 4-(methyl-sulfan-yl)benzaldehyde. An intra-molecular C-H?S hydrogen bond results in the formation of a planar (r.m.s. deviation = 0.003?Å) five-membered ring. In the crystal structure, inter-molecular C-H?N hydrogen bonds link the mol-ecules to form layers parallel to (011).

| S-EPMC2979762 | biostudies-other

5-({3-[(5-Amino-1,3,4-thia-diazol-2-yl)sulfanylmeth-yl]benz-yl}sulfan-yl)-1,3,4-thia-diazol-2-amine.

Project description:In the title compound, C(12)H(12)N(6)S(4), the two terminal thia-diazole rings are twisted with respect to the central benzene ring, making dihedral angles of 54.28?(4) and 76.56?(3)°. The dihedral angle between the two thia-diazole rings is 27.77?(4)°. Inter-molecular N-H?N hydrogen bonds stabilize the crystal packing, linking the mol-ecules into a tape along the b axis.

| S-EPMC3344171 | biostudies-literature

Bis[(5-phenyl-1,3,4-thia-diazol-2-yl)sulfan-yl]methane.

Project description:The asymmetric unit of the title compound, C(17)H(12)N(4)S(4), contains one half-mol-ecule situated on a twofold rotational axis. In the mol-ecule, the thia-diazole and attached phenyl rings are twisted by 5.8?(3)°.

| S-EPMC3011391 | 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

1,4-Bis[(5-phenyl-1,3,4-thia-diazol-2-yl)sulfan-yl]butane.

Project description:The asymmetric unit of the title compound, C(20)H(18)N(4)S(4), contains one half-mol-ecule situated on a twofold rotation axis, in which the thia-diazole and phenyl rings are twisted by 7.2?(3)°. In the crystal, weak inter-molecular C-H?? inter-actions link the mol-ecules into layers parallel to (103).

| S-EPMC3052050 | biostudies-literature

2-(4-Methyl-phen-yl)-5-[({[5-(4-methyl-phen-yl)-1,3,4-thia-diazol-2-yl]sulfan-yl}meth-yl)sulfan-yl]-1,3,4-thia-diazole.

Project description:In the title compound, C(19)H(16)N(4)S(4), the mol-ecules exhibit a butterfly conformation, where the thia-diazole and attached benzene rings in two wings are almost coplanar, with dihedral angles of 0.8?(3) and 0.9?(3)°, respectively, while the two thia-diazole rings form a dihedral angle of 46.3?(3)°.

| S-EPMC3297906 | biostudies-other

N-(5-Methyl-sulfanyl-1,3,4-thia-diazol-2-yl)acetamide.

Project description:In the title compound, C(5)H(7)N(3)OS(2), inversion dimers linked by pairs of N-H⋯N hydrogen bonds occur, forming R(2) (2)(8) ring motifs. These dimers are arranged into chains via inter-molecular C-H⋯O hydrogen bonds between the methylsulfanyl groups and the O atoms of the carbonyl groups. The acetamido-1,3,4-thio-diazole unit is essentially planar [r.m.s. deviation 0.045 (8) Å].

| S-EPMC2969935 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(9)H(9)N(3)S, contains two crystallographically independent mol-ecules, in which the thia-diazole and tolyl rings are oriented at dihedral angles of 32.25 (3) and 74.50 (3)°. An intra-molecular C-H⋯S inter-action results in the formation of a five-membered ring. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into chains along the a axis. A π-π contact between the thia-diazole rings [centroid-centroid distance = 3.910 (3) Å] may further stabilize the structure. There is also a weak C-H⋯π inter-action.

| S-EPMC2977661 | biostudies-literature

N'-[(E)-2-Chloro-benzyl-idene]-2-[(1,3,4-thia-diazol-2-yl)sulfan-yl]acetohydrazide.

Project description:In the title compound, C(11)H(9)ClN(4)OS(2), the thia-diazole and chloro-phenyl rings are oriented at an angle of 43.1?(1)°. The sum of the bond angles around the amide N atom (359.8°) of the acetohydrazide group is in accordance with a model of sp(2) hybridization. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(8) loops. Weak C-H?? inter-actions also occur.

| S-EPMC3201361 | biostudies-literature

N-{(2S)-3-Hy-droxy-4-[(5-methyl-1,3,4-thia-diazol-2-yl)sulfan-yl]-1-phenyl-2-but-yl}-4-methyl-benzene-sulfonamide.

Project description:The thia-diazoyl and sulfonyl-benzene rings in the title compound, C(20)H(23)N(3)O(3)S(3), are aligned to the same side of the mol-ecule, forming a twisted 'U' shape [dihedral angle = 77.6?(5)°]. The benzyl-benzene ring is orientated in the opposite direction from the mol-ecule but projects approximately along the same axis as the other rings [dihedral angle between benzene rings = 28.2?(5)°] so that, overall, the mol-ecule has a flattened shape. The hy-droxy and amine groups are almost syn which enables the formation of inter-molecular hy-droxy-OH?N(thia-diazo-yl) and amine-H?O(sulfon-yl) hydrogen bonds leading to a supra-molecular chain aligned along the a axis.

| S-EPMC3200695 | biostudies-literature

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