Crystal structure of di(pyrrolidin-1-yl)methane-thione, C9H16N2S

Abstract

C 9 H 16 N 2 S, orthorhombic, Pbca (no. 61), a = 9.1580(4) Å, b = 11.8157(4) Å, c = 18.0202(8) Å, V = 1949.9 Å 3 , Z = 8, CCDC no.: 1267/4327 Source of materialThe compound was obtained commercially as "ammonium pyrrolidine dithiocarbamate" (APDC) from Hopkin & Williams Ltd. Crystals suitable for the di raction study were obtained directly from the crystalline reaction product. An explanation for the presence of the title compound in the provided product is not at hand. Experimental detailsCarbon-bound H atoms were placed in calculated positions (C-H 0.99 Å) and were included in the re nement in the riding model approximation, with U iso (H) set to 1.2Ueq(C).

The crystal structure of thioxanthen-9-one-10,10-dioxide, C13H8O3S – a second polymorph

“…Endowing the parent ring with sterically-demanding or rigid substituents or entering the realm of partial unsaturation, other conformations may become feasible. In our continuous interest in the conformational behaviour of five-, six-, seven-and eightmembered non-aromatic heterocyclic ring-systems [8][9][10][11][12][13][14][15][16][17][18][19], we determined the crystal structure of the title compound to enable comparisons of metric parameters with related ring-systems. Although the crystal structure of the title compound has already been reported in the literature [20] the refinement of the model also included the hydrogen atomsthe 3D coordinates of the latter atoms were not deposited.…”