Materials Data on H4CSIN2 by Materials Project

Abstract

(CNH)2H2N2H4S2II crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hydriodic acid molecules, four hydrogen molecules, eight methanimine molecules, and four N2H4S2I clusters. In each N2H4S2I cluster, N+2.50- is bonded in a distorted single-bond geometry to one H1+, one S2-, and one I1- atom. The N–H bond length is 1.04 Å. The N–S bond length is 1.65 Å. The N–I bond length is 2.26 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.37 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+2.50- atom. S2- is bonded in a water-like geometry to one N+2.50- and one H1+ atom. I1- is bonded in a bent 150 degrees geometry to two equivalent N+2.50- atoms.