Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 12 (December 2007)

organic compounds

gd3156 scheme

Acta Cryst. (2007). C63, o693-o696    [ doi:10.1107/S0108270107049797 ]

Supra­molecular structures of bis-thiono­oxalamic acid esters derived from (±)-cyclo­hexane-1,2-diamine and (±)-1,2-diphenyl­ethyl­enediamine

B. Piotrkowska, T. Polonski and M. Gdaniec

Abstract: The bis-thiono­oxalamic acid esters trans-(±)-diethyl N,N'-(cyclo­hexane-1,2-di­yl)bis­(2-thio­oxamate), C14H22N2O4S2, and (±)-N,N'-diethyl (1,2-diphenyl­ethane-1,2-di­yl)bis­(2-thioox­amate), C22H24N2O4S2, both consist of conformationally flexible mol­ecules which adopt similar conformations with approximate C2 rotational symmetry. The thio­amide and ester parts of the thio­oxamate group are significantly twisted along the central C-C bond, with the S=C-C=O torsion angles in the range 30.94 (19)-44.77 (19)°. The twisted s-cis conformation of the thiono­oxamide groups facilitates assembly of mol­ecules into a one-dimensional polymeric structure via inter­molecular three-center C=S...NH...O=C hydrogen bonds and C-H...O inter­actions formed between mol­ecules of the opposite chirality.

Formula: C14H22N2O4S2 and C22H24N2O4S2

hkldisplay filedownload file

Structure factor file (CIF format) (145.1 kbytes)
[ doi:10.1107/S0108270107049797/gd3156Isup2.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (226.0 kbytes)
[ doi:10.1107/S0108270107049797/gd3156IIsup3.hkl ]
Contains datablock II


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