4-Thiocarbamoylpyridin-1-ium iodide

Abstract

The title salt, C6H7N2S+·I−, crystallizes with two independent cations and two anions in the asymmetric unit. In one of the cations, the dihedral angle between the pyridinium ring and the thioamide group is 28.9 (2)°; in the other it is 33.5 (2)°. In the crystal, N—H...S and C—H...S hydrogen bonds link the independent cations into pairs. These pairs form a three-dimensional network through additional N—H...I and C—H...I hydrogen bonds to the anions.

Crystal structure ofcatena-poly[[[bis(pyridine-4-carbothioamide-κN1)cadmium]-di-μ-thiocyanato-κ2N:S;κ2S:N] methanol disolvate]

“…There is only one crystal structure of the ligand itself reported at room temperature and at 100 K (Colleter & Gadret, 1967;Eccles et al, 2014). The crystal structure of the protonated ligand 4-thiocarbamoylpyridinium iodide was also reported recently (Shotonwa & Boeré, 2014).…”

1-Methyl-4-thiocarbamoylpyridin-1-ium iodide

“…The N1/I1/N1 i /I1 i plane makes a dihedral angle of 26.67 (2) with the thioamide moiety, and the H1A and H1B hydrogen atoms deviate from this plane by À0.39 (2) and 0.12 (2) Å , respectively. The cation structure is closely related to that of the protonated analogue, C 6 H 7 N 2 S + ÁI À (Shotonwa & Boeré, 2014) and all comparable intramolecular distances are indistinguishable within standard uncertainties [Cambridge Structural Database (CSD) Version 5.39, with updates to November 2017 (Groom et al, 2016), refcode: TODDAT].…”

Crystal structures of tetrakis(pyridine-4-thioamide-κN)bis(thiocyanato-κN)cobalt(II) monohydrate and bis(pyridine-4-thioamide-κN)bis(thiocyanato-κN)zinc(II)

“…However, the pure 4-pyridinethioamide ligand is also known and in its structure the molecules are linked by pairs of hydrogen bonds between the amino H atoms and the thioamide S atom (Colleter & Gadret, 1967;Eccles et al, 2014). Finally, the protonated form with iodine as counter-anion was reported by Shotonwa & Boeré (2014).…”