Crystal structure of di(pyrazin-2-yl)sulfane, C8H6N4S

Abstract

C 8 H 6 N 4 S, monoclinic, P2 1 /n (no. 14), a = 3.9096 (7) Source of materialDi(pyrazin-2-yl)sulfane C 8 H 6 N 4 S was obtained by using the same synthetic method as reported in the literature [1]. The product was purified by column chromatography on silica gel (eluent: dichloromethane/methanol = 95:5, v/v), and the title compound was obtained in 40.1% yield. The orange crystals with average dimensions of 0.34´0.30´0.20 mm were obtained by slow evaporation from methanol / acetonitrile 1/1 (v/v). Experimental detailsThe hydrogen atoms were placed in idealized positions and allowed to ride on the relevant carbon atoms. U iso (H) = 1.2 U eq (C) aryl . DiscussionChalcogenobispyridines and derivates display a wide range of biological and industrial applications, as well as of building blocks for supramolecular assembly [2][3][4][5][6]. However, nitrogen rich diheterocyclic sulfides have been rarely reported [7]. As shown in the figure, the S atom bears two pyrazinyl rings with a dihedral angle of 48.37(5)°. The S-C bond lengths are 1.7665(16) Å and 1.7683(16) Å, and comparable with the avarage value of 1.780 Å in dipyrimidinyl sulfane [7]. Along the a axis, the molecules are stacked with the distance between the pyrazinyl ring centroids of 3.910(3) Å. By those intermolecular p···p interactions, a clomun motif is formed with the molecules.

Crystal structure of diaqua-dinitrato-κ1O-bis(2-(pyridin-4-ylthio)- pyrazine-κ1N)cadmium(II), C18H18CdN8O8S2

“…The Cd1-N1 bond length is 2.249(3) Å, and the Cd1-O1w equals 2.402(3) Å. The C3-S1-C6 angle is 106.85(18)°, comparable to that 104.27(7)°of C-S-C in di-pyrazinyl sulfide [8]. …”

“…Dipyridyl ligands with the bent C-S-C fragment exhibit diverse coordination geometries in construction various transition metal complexes [6][7][8], and the coordination chemistry of these N-positional isomers has been extensively studied. In the present context, we report a new complex derived from 2-(pyridine-4-ylthio)pyrazine and cadmium(II)nitrate.…”