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

ABSTRACT: 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].

SUBMITTER: Zhang GY

PROVIDER: S-EPMC2969935 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description:The title compound, C16H20N4OS2, was synthesized by the reaction of 2-benzyl-sulfanyl-5-chloro-acetamido-1,3,4-thia-diazole and piperidine in a 1:2 ratio. The planes of the acetamide and 1,3,4-thia-diazole units are twisted by 10.8 (4)°. The thia-diazole S atom and the acetamide O atom are syn-oriented due to a hypervalent S⋯O inter-action of 2.628 (4) Å. In the crystal, mol-ecules form centrosymmetric dimers via N-H⋯N hydrogen bonds. These dimers are further connected by C-H⋯O inter-actions into (100) layers.

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N-(5-Sulfanyl-idene-4,5-dihydro-1,3,4-thia-diazol-2-yl)acetamide dimethyl sulfoxide disolvate.

Project description:In the title compound, C(4)H(5)N(3)OS(2)·2C(2)H(6)OS, the five-membered heterocyclic ring and the N-(C=O)-C plane of the acetamide group are essentially co-planar, with a dihedral angle of 1.25?(3)°. Inter-molecular N-H?O hydrogen bonds between the acetamide compound and the dimethyl sulfoxide mol-ecules stabilize the crystal structure. The two dimethyl sulfoxide mol-ecules are each disordered over two positions with occupancy ratios of 0.605?(2):0.395?(2) and 0.8629?(18):0.1371?(18).

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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.

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Project description:In the crystal structure of the title compound, C(5)H(6)N(6)S(4), the mol-ecules are linked by strong N-H?N hydrogen bonds into a two-dimensional network and an intra-molecular C-H?S inter-action also occurs.

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N-[1-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thia-diazol-2-yl)-2-phenyl-ethyl]acetamide.

Project description:In the title compound, C(17)H(22)N(4)O(3)S, the dihedral angle between the planes of the thia-diazole and phenyl rings is 63.47 (7)°. The dihedral angle between the thia-diazole ring and the acetamide side chain is 7.72 (9)°. Mol-ecules related by a 2(1) screw axis along the a axis are linked by inter-molecular N-H⋯O hydrogen bonds generating a supra-molecular chain.

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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.

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Project description:The title compound, C(13)H(15)N(3)O(3)S, crystallizes with two mol-ecules in the asymmetric unit. The thia-diazole rings in both the mol-ecules adopt an envelope conformation. The crystal packing is stabilized by inter-molecular N-H⋯O and C-H⋯O inter-actions.

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Crystal structure of 2-amino-5-methyl-sulfanyl-1,3,4-thia-diazol-3-ium chloride monohydrate.

Project description:The title salt, C3H6N3S2 (+)·Cl(-)·H2O, crystallized with two organic cations, two chloride anions and two water mol-ecules in the asymmetric unit. The methyl C atoms deviate from their respective bound ring planes by 0.081 and 0.002 Å. In the crystal, the components are connected via N-H⋯O, N-H⋯Cl and O-H⋯Cl hydrogen bonds, forming sheets lying parallel to (100). The sheets are linked into bilayers by O-H⋯Cl hydrogen bonds involving the chloride ions and water mol-ecules. Within the bilayers there are π-π inter-actions [inter-centroid distances = 3.4654 (4) and 3.4789 (4) Å] involving inversion-related cations.

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N-[4-Acetyl-5-(4-fluoro-phen-yl)-4,5-di-hydro-1,3,4-thia-diazol-2-yl]acetamide.

Project description:The title mol-ecule, C12H12FN3O2S, shows a short intra-molecular S⋯O contact of 2.682 (18) Å. The dihedral angle between the thia-diazole ring and the benzene ring is 86.82 (11)°. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds generate an R 2 (1)(6) graph-set motif between adjacent mol-ecules. Pairs of futher C-H⋯O hydrogen bonds form inversion dimers with R 2 (2)(8) ring motifs. These combine to generate a three-dimensional network and stack the mol-ecules along the b axis.

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Project description:In the title compound, C7H8N6O2S, the dihedral angle between the imidazole and thia-diazole rings is 70.86?(15)°. In the crystal, mol-ecules are linked into [10-1] chains by N-H?N hydrogen bonds, which incorporate centrosymmetric R 2 (2)(8) and R 2 (2)(18) loops. The chains are linked by C-H?O and C-H?N inter-actions, generating a three-dimensional network. Very weak ?-? stacking [centroid-centroid distance = 3.901?(17)?Å] is also observed.

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