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

Abhinav Kumar, Amita Singh, Reena Yadav, Suryabhan Singh, Gabriele Kociok-Köhn, Manoj Trivedi

Research output: Contribution to journalArticle

Abstract

Four new organotin(IV) ferrocenyl dithiocarbamate complexes viz. [(FcCH2EtOHdtc)2SnR2] (R = Me (1), n-Bu (2) and Ph (3)) and [(FcCH2EtOHdtc)SnPh3] (4) have been synthesized and characterized by electronic absorption, IR, 1H, 13C and 119Sn 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[sbnd]H⋯O intermolecular interactions and also display weak C[sbnd]H⋯π and C[sbnd]H⋯S interactions. The crystal structure of 2 exhibit the formation of one dimensional chain held by weak O[sbnd]H⋯S, (Cp)C[sbnd]H⋯O and π⋯π interactions. Additionally 2 also display the formation of one dimensional chain because of the (Cp)C[sbnd]H⋯S and (Cp)C[sbnd]H⋯π interactions. These interactions have been addressed by ab initio and atoms-in-molecules analyses.

LanguageEnglish
Pages234-243
Number of pages10
JournalInorganica Chimica Acta
Volume471
Early online date13 Nov 2017
DOIs
StatusPublished - 24 Feb 2018

Fingerprint

Ethanol
ethyl alcohol
Crystal structure
Atoms
interactions
Sulfur
Molecular structure
Nuclear magnetic resonance spectroscopy
Ligands
crystal structure
Single crystals
X ray diffraction
X rays
Molecules
Geometry
atoms
x rays
molecular structure
sulfur
nuclear magnetic resonance

Keywords

  • AIM
  • MP2
  • Organotin
  • Supramolecular
  • X-ray

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

Cite this

Supramolecular architecture of organotin(IV) N-methyl ferrocenyl N-ethanol dithiocarbamates : Crystallographic and computational studies. / Kumar, Abhinav; Singh, Amita; Yadav, Reena; Singh, Suryabhan; Kociok-Köhn, Gabriele; Trivedi, Manoj.

In: Inorganica Chimica Acta, Vol. 471, 24.02.2018, p. 234-243.

Research output: Contribution to journalArticle

@article{88e278fb546c441caf71218155b10e23,
title = "Supramolecular architecture of organotin(IV) N-methyl ferrocenyl N-ethanol dithiocarbamates: Crystallographic and computational studies",
abstract = "Four new organotin(IV) ferrocenyl dithiocarbamate complexes viz. [(FcCH2EtOHdtc)2SnR2] (R = Me (1), n-Bu (2) and Ph (3)) and [(FcCH2EtOHdtc)SnPh3] (4) have been synthesized and characterized by electronic absorption, IR, 1H, 13C and 119Sn 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[sbnd]H⋯O intermolecular interactions and also display weak C[sbnd]H⋯π and C[sbnd]H⋯S interactions. The crystal structure of 2 exhibit the formation of one dimensional chain held by weak O[sbnd]H⋯S, (Cp)C[sbnd]H⋯O and π⋯π interactions. Additionally 2 also display the formation of one dimensional chain because of the (Cp)C[sbnd]H⋯S and (Cp)C[sbnd]H⋯π interactions. These interactions have been addressed by ab initio and atoms-in-molecules analyses.",
keywords = "AIM, MP2, Organotin, Supramolecular, X-ray",
author = "Abhinav Kumar and Amita Singh and Reena Yadav and Suryabhan Singh and Gabriele Kociok-K{\"o}hn and Manoj Trivedi",
year = "2018",
month = "2",
day = "24",
doi = "10.1016/j.ica.2017.11.016",
language = "English",
volume = "471",
pages = "234--243",
journal = "Inorganica Chimica Acta",
issn = "0020-1693",
publisher = "Elsevier",

}

TY - JOUR

T1 - Supramolecular architecture of organotin(IV) N-methyl ferrocenyl N-ethanol dithiocarbamates

T2 - Inorganica Chimica Acta

AU - Kumar, Abhinav

AU - Singh, Amita

AU - Yadav, Reena

AU - Singh, Suryabhan

AU - Kociok-Köhn, Gabriele

AU - Trivedi, Manoj

PY - 2018/2/24

Y1 - 2018/2/24

N2 - Four new organotin(IV) ferrocenyl dithiocarbamate complexes viz. [(FcCH2EtOHdtc)2SnR2] (R = Me (1), n-Bu (2) and Ph (3)) and [(FcCH2EtOHdtc)SnPh3] (4) have been synthesized and characterized by electronic absorption, IR, 1H, 13C and 119Sn 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[sbnd]H⋯O intermolecular interactions and also display weak C[sbnd]H⋯π and C[sbnd]H⋯S interactions. The crystal structure of 2 exhibit the formation of one dimensional chain held by weak O[sbnd]H⋯S, (Cp)C[sbnd]H⋯O and π⋯π interactions. Additionally 2 also display the formation of one dimensional chain because of the (Cp)C[sbnd]H⋯S and (Cp)C[sbnd]H⋯π interactions. These interactions have been addressed by ab initio and atoms-in-molecules analyses.

AB - Four new organotin(IV) ferrocenyl dithiocarbamate complexes viz. [(FcCH2EtOHdtc)2SnR2] (R = Me (1), n-Bu (2) and Ph (3)) and [(FcCH2EtOHdtc)SnPh3] (4) have been synthesized and characterized by electronic absorption, IR, 1H, 13C and 119Sn 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[sbnd]H⋯O intermolecular interactions and also display weak C[sbnd]H⋯π and C[sbnd]H⋯S interactions. The crystal structure of 2 exhibit the formation of one dimensional chain held by weak O[sbnd]H⋯S, (Cp)C[sbnd]H⋯O and π⋯π interactions. Additionally 2 also display the formation of one dimensional chain because of the (Cp)C[sbnd]H⋯S and (Cp)C[sbnd]H⋯π interactions. These interactions have been addressed by ab initio and atoms-in-molecules analyses.

KW - AIM

KW - MP2

KW - Organotin

KW - Supramolecular

KW - X-ray

UR - http://www.scopus.com/inward/record.url?scp=85034020431&partnerID=8YFLogxK

U2 - 10.1016/j.ica.2017.11.016

DO - 10.1016/j.ica.2017.11.016

M3 - Article

VL - 471

SP - 234

EP - 243

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

SN - 0020-1693

ER -