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Supramolecular architecture of organotin(IV) N-methyl ferrocenyl N-ethanol dithiocarbamates: Crystallographic and computational studies

Kumar, Abhinav and Singh, Amita and Yadav, Reena and Singh, Suryabhan and Kociok-Kohn, Gabriele and Trivedi, Manoj (2018) Supramolecular architecture of organotin(IV) N-methyl ferrocenyl N-ethanol dithiocarbamates: Crystallographic and computational studies. In: INORGANICA CHIMICA ACTA, 471 . pp. 234-243.

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Official URL: http://dx.doi.org/10.1016/j.ica.2017.11.016

Abstract

Four new organotin(IV) ferrocenyl dithiocarbamate complexes viz. (FcCH(2)EtOHdtc)(2)SnR2] (R = Me (1), n-Bu (2) and Ph (3)) and (FcCH(2)EtOHdtc) SnPh3] (4) have been synthesized and characterized by electronic absorption, IR, H-1, C-13 and Sn-119 NMR spectroscopy. The molecular structures of 1 and 2 have been confirmed by single crystal X-ray diffraction technique. The X-ray analyses for 1 and 2 reveal a skew trapezoidal bipyramid geometry around Sn(IV) which is being satisfied by the two sulfur atoms of the two dithiocarbamate ligands in anisobidentate fashion. In the crystal structure of 1, an interesting one dimensional chain held by O-H center dot center dot center dot O intermolecular interactions and also display weak C-H center dot center dot center dot pi and C-H center dot center dot center dot S interactions. The crystal structure of 2 exhibit the formation of one dimensional chain held by weak O-H center dot center dot center dot S, (Cp) C-H center dot center dot center dot O and pi center dot center dot center dot pi interactions. Additionally 2 also display the formation of one dimensional chain because of the (Cp) C-H center dot center dot center dot S and (Cp) C-H center dot center dot center dot pi interactions. These interactions have been addressed by ab initio and atoms-in-molecules analyses. (C) 2017 Elsevier B.V. All rights reserved.

Item Type: Journal Article
Additional Information: Copy right for this article belongs to the ELSEVIER SCIENCE SA, PO BOX 564, 1001 LAUSANNE, SWITZERLAND
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Depositing User: Id for Latest eprints
Date Deposited: 02 Mar 2018 15:07
Last Modified: 02 Mar 2018 15:07
URI: http://eprints.iisc.ac.in/id/eprint/58871

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