Crystal structures and Hirshfeld surface analyses of bis[N,N-bis(2-methoxyethyl)dithiocarbamato-κ2 S,S′]di-n-butyltin(IV) and [N-(2-methoxyethyl)-N-methyldithiocarbamato-κ2 S,S′]triphenyltin(IV)

Rapidah Mohamad, Normah Awang, Kamaludin Nurul Farahana, Mukesh M. Jotani, Edward R.T. Tiekink

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2 Citations (Scopus)

Abstract

The crystal and molecular structures of the two title organotin dithiocarbamate compounds, [Sn(C4H9)2(C7H14NO2S2)2], (I), and [Sn(C6H5)3(C5H10NOS2)], (II), are described. Both structures feature asymmetrically bound dithiocarbamate ligands leading to a skew-trapezoidal bipyramidal geometry for the metal atom in (I) and a distorted tetrahedral geometry in (II). The complete molecule of (I) is generated by a crystallographic twofold axis (Sn site symmetry 2). In the crystal of (I), molecules self-assemble into a supramolecular array parallel to (10-1) via methylene-C - H. . .O(methoxy) interactions. In the crystal of (II), supramolecular dimers are formed via pairs of weak phenyl-C - H. . .π(phenyl) contacts. In each of (I) and (II), the specified assemblies connect into a three-dimensional architecture without directional interactions between them. Hirshfeld surface analyses confirm the importance of H. . .H contacts in the molecular packing of each of (I) and (II), and in the case of (I), highlight the importance of short methoxy-H. . .H(butyl) contacts between layers.

Original languageEnglish
Pages (from-to)302-308
Number of pages7
JournalActa Crystallographica Section E: Crystallographic Communications
Volume74
DOIs
Publication statusPublished - 1 Jan 2018

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Crystal structure
Crystals
crystal structure
Molecules
Geometry
Crystal symmetry
geometry
methylene
Dimers
assemblies
Molecular structure
crystals
molecules
molecular structure
Metals
Ligands
dimers
interactions
Atoms
ligands

Keywords

  • crystal structure
  • dithiocarbamate
  • Hirshfeld surface analysis
  • organotin

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

@article{da3801b8488b452ebbe704659ff05376,
title = "Crystal structures and Hirshfeld surface analyses of bis[N,N-bis(2-methoxyethyl)dithiocarbamato-κ2 S,S′]di-n-butyltin(IV) and [N-(2-methoxyethyl)-N-methyldithiocarbamato-κ2 S,S′]triphenyltin(IV)",
abstract = "The crystal and molecular structures of the two title organotin dithiocarbamate compounds, [Sn(C4H9)2(C7H14NO2S2)2], (I), and [Sn(C6H5)3(C5H10NOS2)], (II), are described. Both structures feature asymmetrically bound dithiocarbamate ligands leading to a skew-trapezoidal bipyramidal geometry for the metal atom in (I) and a distorted tetrahedral geometry in (II). The complete molecule of (I) is generated by a crystallographic twofold axis (Sn site symmetry 2). In the crystal of (I), molecules self-assemble into a supramolecular array parallel to (10-1) via methylene-C - H. . .O(methoxy) interactions. In the crystal of (II), supramolecular dimers are formed via pairs of weak phenyl-C - H. . .π(phenyl) contacts. In each of (I) and (II), the specified assemblies connect into a three-dimensional architecture without directional interactions between them. Hirshfeld surface analyses confirm the importance of H. . .H contacts in the molecular packing of each of (I) and (II), and in the case of (I), highlight the importance of short methoxy-H. . .H(butyl) contacts between layers.",
keywords = "crystal structure, dithiocarbamate, Hirshfeld surface analysis, organotin",
author = "Rapidah Mohamad and Normah Awang and {Nurul Farahana}, Kamaludin and Jotani, {Mukesh M.} and Tiekink, {Edward R.T.}",
year = "2018",
month = "1",
day = "1",
doi = "10.1107/S2056989018001901",
language = "English",
volume = "74",
pages = "302--308",
journal = "Acta Crystallographica Section E: Crystallographic Communications",
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publisher = "International Union of Crystallography",

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T1 - Crystal structures and Hirshfeld surface analyses of bis[N,N-bis(2-methoxyethyl)dithiocarbamato-κ2 S,S′]di-n-butyltin(IV) and [N-(2-methoxyethyl)-N-methyldithiocarbamato-κ2 S,S′]triphenyltin(IV)

AU - Mohamad, Rapidah

AU - Awang, Normah

AU - Nurul Farahana, Kamaludin

AU - Jotani, Mukesh M.

AU - Tiekink, Edward R.T.

PY - 2018/1/1

Y1 - 2018/1/1

N2 - The crystal and molecular structures of the two title organotin dithiocarbamate compounds, [Sn(C4H9)2(C7H14NO2S2)2], (I), and [Sn(C6H5)3(C5H10NOS2)], (II), are described. Both structures feature asymmetrically bound dithiocarbamate ligands leading to a skew-trapezoidal bipyramidal geometry for the metal atom in (I) and a distorted tetrahedral geometry in (II). The complete molecule of (I) is generated by a crystallographic twofold axis (Sn site symmetry 2). In the crystal of (I), molecules self-assemble into a supramolecular array parallel to (10-1) via methylene-C - H. . .O(methoxy) interactions. In the crystal of (II), supramolecular dimers are formed via pairs of weak phenyl-C - H. . .π(phenyl) contacts. In each of (I) and (II), the specified assemblies connect into a three-dimensional architecture without directional interactions between them. Hirshfeld surface analyses confirm the importance of H. . .H contacts in the molecular packing of each of (I) and (II), and in the case of (I), highlight the importance of short methoxy-H. . .H(butyl) contacts between layers.

AB - The crystal and molecular structures of the two title organotin dithiocarbamate compounds, [Sn(C4H9)2(C7H14NO2S2)2], (I), and [Sn(C6H5)3(C5H10NOS2)], (II), are described. Both structures feature asymmetrically bound dithiocarbamate ligands leading to a skew-trapezoidal bipyramidal geometry for the metal atom in (I) and a distorted tetrahedral geometry in (II). The complete molecule of (I) is generated by a crystallographic twofold axis (Sn site symmetry 2). In the crystal of (I), molecules self-assemble into a supramolecular array parallel to (10-1) via methylene-C - H. . .O(methoxy) interactions. In the crystal of (II), supramolecular dimers are formed via pairs of weak phenyl-C - H. . .π(phenyl) contacts. In each of (I) and (II), the specified assemblies connect into a three-dimensional architecture without directional interactions between them. Hirshfeld surface analyses confirm the importance of H. . .H contacts in the molecular packing of each of (I) and (II), and in the case of (I), highlight the importance of short methoxy-H. . .H(butyl) contacts between layers.

KW - crystal structure

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KW - Hirshfeld surface analysis

KW - organotin

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