Di-n-butylbis[N-(2-methoxyethyl)-N-methyldithiocarbamato-κ²S,S′]tin(IV): crystal structure and Hirshfeld surface analysis

Abstract

A skew trapezoidal bipyramidal coordination geometry based on a C2S4 donor set is found in the structure of (C6H5)2Sn[S2CN(Me)CH2CH2OMe]2, with the SnIV atom lying on a mirror plane.

Crystal structures and Hirshfeld surface analyses of bis[N,N-bis(2-methoxyethyl)dithiocarbamato-κ2S,S′]di-n-butyltin(IV) and [N-(2-methoxyethyl)-N-methyldithiocarbamato-κ2S,S′]triphenyltin(IV)

“…In keeping with the aforementioned, several recent studies have appeared investigating the biological activity of metal dithiocarbamates where the ligand contains at least one 2-methoxyethyl substituent (Khan et al, 2013(Khan et al, , 2016, including anti-bacterial potential of organotins (Mohamad, Awang, Kamaludin & Abu Bakar, 2016;. The latter ISSN 2056-9890 studies have been augmented by several structural investigations in recent times Mohamad, Awang, Kamaludin, Jotani et al, 2016;Mohamad et al, 2017). In a continuation of these structural studies, herein, the crystal and molecular structures of (n-Bu) 2 Sn[S 2 CN(CH 2 CH 2 OCH 3 ) 2 ] 2 (I) and (C 6 H 5 ) 3 Sn-[S 2 CN(CH 3 )CH 2 CH 2 OCH 3 ] (II) are reported along with a Hirshfeld surface analysis to provide more details on the molecular packing, which generally lacks directional intermolecular interactions.…”

“…Organotin dithiocarbamates have long been known to possess biological activity, in particular as anti-tumour and antibacterial agents (Tiekink, 2008). In keeping with the aforementioned, several recent studies have appeared investigating the biological activity of metal dithiocarbamates where the ligand contains at least one 2-methoxyethyl substituent (Khan et al, 2013(Khan et al, , 2016, including anti-bacterial potential of organotins (Mohamad, Awang, Kamaludin & Abu Bakar, 2016;. The latter ISSN 2056-9890 studies have been augmented by several structural investigations in recent times Mohamad, Awang, Kamaludin, Jotani et al, 2016;Mohamad et al, 2017).…”

“…The Hirshfeld surface calculations for the organotin derivatives (I) and (II) were performed in accord with recent work on related organotin dithiocarbamate compounds (Mohamad et al, 2017), and these exhibit different intermolecular environments as described below. The bright-red spots near each of the methoxy-O1 and -O2, and methylene-H4A and H6B atoms lying on both the sides of twofold symmetry axis on the Hirshfeld surfaces mapped over d norm for (I) in Fig.…”

(N,N-Diallyldithiocarbamato-κ2 S,S′)triphenyltin(IV) and bis(N,N-diallyldithiocarbamato-κ2 S,S′)diphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study

“…In the past few years, there has been a resurgence of interest in the anti-cancer activity of organotin dithiocarbamates (Khan et al, 2015;Mohamad, Awang, Kamaludin et al, 2016) and very recently, a report on the in vitro cytotoxicity trial of several tin diallyldithiocarbamate compounds was described as well as a preliminary assessment of anti-microbial activity (Adeyemi et al, 2019); some phosphane-gold(I) and phosphane-silver(I) dithiocarbamates are known to be bactericidal based on pharmacokinetic studies (Sim et al, 2014;. The aforementioned report on tin diallyldithiocarbamate compounds (Adeyemi et al, 2019) also presented the first crystal-structure determinations for tin compounds of diallyldithiocarbamate.…”

(N,N-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study

“…Metal dithiocarbamates have also encouraged much interest in the context of chemotherapeutic agents (Hogarth, 2012) and these include organotin(IV) dithiocarbamate compounds (Tiekink, 2008;Adeyemi & Onwudiwe, 2018). In view of the wide-range of applications/potential of organotin(IV) dithiocarbamate compounds and in continuation of on-going studies in this area (Khan et al, 2015;Mohamad et al 2016Mohamad et al , 2017Mohamad et al , 2018, the title compound, Ph 3 Sn[S 2 CN(i-Pr) 2 ], (I), was synthesized and characterized spectroscopically. Herein, the crystal and molecular structures of (I) are described along with a detailed analysis of the molecular packing via the calculated Hirshfeld surfaces and computational chemistry study.…”