
TY  - JOUR
A1  - Williams, GA 
A1  - Statham, JR 
A1  - White, AH 
T1  - The crystal and molecular structure of dipyrrolidylthiuram disulfide
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1983
VL  - 36
IS  - 7
SP  - 1371
EP  - 1377
KW  - 
UR  - https://doi.org/10.1071/CH9831371 
N2  - The crystal structure of dipyrrolidylthiuram disulfide has been determined by single-crystal X-ray diffraction techniques at 295 K. Crystals are monoclinic, space group C2/c, unit cell a 13.835(3), b 10.422(2), c 9.427(3) Å, &#946; 97.08(2)º and Z 4. Automatic diffractometry has provided significant Bragg intensities for 1402 independent reflections, and the structure has been refined by least-squares methods to R 0.037. The structure consists of discrete C4H8NC(S)S2C(S)NC4H8 molecules. Half of each molecule is crystallographically unique with distances S-S 2.002(1), and C-S 1.804(2) and 1.645(2) Å. The dihedral angle between planar C2NC(S)S portions is 87.9º. The relevance of the derived structural parameters to the question of why the tris(pyrrolidine-1-carbodithioato)iron(III) complex is, uniquely, high spin is discussed. 
ER  -

