The interplay of thiophilic and hydrogen bonding interactions in the supramolecular architecture of phenylmercury 4-hydroxypiperidine dithiocarbamate

Rajendra Prasad, Reena Yadav, Manoj Trivedi, Gabriele Kociok-Kohn, Abhinav Kumar

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

A new phenylmercury(II) dithiocarbamate complex [PhHg(S2CN(CH2)4CH(OH)], (1) has been synthesized and characterized by elemental analyses, IR, 1H and 13C NMR spectroscopy and X-ray crystallography. The crystal structure of 1 shows a linear arrangement at the Hg(II) centre of the molecule through bonding of the sulphur atom of the dithiocarbamate ligand and the carbon atom of the aromatic ring. Weak intermolecular thiophilic Hg···S interactions lead to a "head-to-tail" dimer and the presence of a hydroxyl group at the periphery of piperidine moiety generates a 1D-chain network through intermolecular O···H interactions. The nature of weak intra- and intermolecular Hg···S, H···S and intermolecular O···H interactions have been assessed with the help of ab initio calculations and atoms-in-molecules (AIM) approach.

Original languageEnglish
Pages (from-to)265-270
Number of pages6
JournalJournal of Molecular Structure
Volume1103
DOIs
Publication statusPublished - 5 Jan 2016

Fingerprint

Hydrogen bonds
Atoms
Molecules
X ray crystallography
Sulfur
Hydroxyl Radical
Dimers
Nuclear magnetic resonance spectroscopy
Carbon
Crystal structure
Ligands
piperidine

Keywords

  • ab initio
  • AIM
  • Dithiocarbamate
  • Mercury
  • Weak interaction

Cite this

The interplay of thiophilic and hydrogen bonding interactions in the supramolecular architecture of phenylmercury 4-hydroxypiperidine dithiocarbamate. / Prasad, Rajendra; Yadav, Reena; Trivedi, Manoj; Kociok-Kohn, Gabriele; Kumar, Abhinav.

In: Journal of Molecular Structure, Vol. 1103, 05.01.2016, p. 265-270.

Research output: Contribution to journalArticle

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AB - A new phenylmercury(II) dithiocarbamate complex [PhHg(S2CN(CH2)4CH(OH)], (1) has been synthesized and characterized by elemental analyses, IR, 1H and 13C NMR spectroscopy and X-ray crystallography. The crystal structure of 1 shows a linear arrangement at the Hg(II) centre of the molecule through bonding of the sulphur atom of the dithiocarbamate ligand and the carbon atom of the aromatic ring. Weak intermolecular thiophilic Hg···S interactions lead to a "head-to-tail" dimer and the presence of a hydroxyl group at the periphery of piperidine moiety generates a 1D-chain network through intermolecular O···H interactions. The nature of weak intra- and intermolecular Hg···S, H···S and intermolecular O···H interactions have been assessed with the help of ab initio calculations and atoms-in-molecules (AIM) approach.

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