Hydroxyl group interactions in metal dithiocarbamate complexes containing 2-hydroxyethyl substituents. Crystal structure determination, theoretical and Hirshfeld surface study of tris(2-hydroxyethyl(ethyl)amino-dithiocarbamato)indium(III). Survey of hydroxyl group interactions in metal tris(dithiocarbamato) complexes containing 2-hydroxyethyl substituents

Abstract

X-ray crystal structure, theoretical and Hirshfeld surface study of tris(2-hydroxyethyl(ethyl)aminodi-thiocarbamato)indium(III) is reported. The arrangement of the sulfur atoms around the indium centre forms a trigonal prism with bond lengths and angles in close agreement with those reported for indium-dithiocarbarmate [In-dtc] complexes. There are two significant features of the structure: (i) the hydroxyl groups link to form quasi-chair shaped regular hexameric hydrogen bonded arrays, [···HO]6, R66(12), and (ii) C—-H···π interactions, involving [In-S-C-S] rings. While a few examples of cyclic hexameric hydrogen bonded arrays have been reported for dithiocarbamate complexes containing CH2CH2OH groups, this is the first report of a chair shaped arrangement, involving all the hydroxyl units.A survey has been carried out on the hydrogen bond arrangements made by the hydroxyl groups in reported dtc complexes of the type, [M{S2CNR(CH2CH2OH)}3], where M is a transition or main-group metal and R is an alkyl group or CH2CH2OH. Both long chain and ring arrangements of the hydroxyl groups are found, occupying spaces made available by the complexed-metal units. As compound 1 and related compounds are alcohols, albeit complex tris(primary alcohols), comparisons of the findings for these complexes are made with the structural findings for organic alcohols.