Crystal structure of N,N′-bis(4-methyl-phenyl)dithiooxamide

Antonino Giannetto; Santo Lanza; Giuseppe Bruno; Francesco Nicoló; Hadi Amiri Rudbari; W. T A Harrison

doi:10.1107/S2056989014027911

Crystal structure of N,N′-bis(4-methyl-phenyl)dithiooxamide

Antonino Giannetto^*, Santo Lanza, Giuseppe Bruno, Francesco Nicoló, Hadi Amiri Rudbari, W. T A Harrison (Editor)

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

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Abstract

Two half molecules of the title compound, C₁₆H₁₆N₂S₂, are present in the asymmetric unit and both molecules are completed by crystallographic inversion centers at the midpoints of the central C - C bonds: the lengths of these bonds [1.538 (5) and 1.533 (5) Å] indicate negligible electronic delocalization. The trans-dithiooxamide fragment in each molecule is characterized by a pair of intramolecular N - H⋯S hydrogen bonds. In the crystal, molecules are linked by weak C - H⋯πs interactions, generating a three-dimensional network.

Original language	English
Pages (from-to)	o67
Number of pages	1
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	71
Issue number	2
Early online date	3 Jan 2015
DOIs	https://doi.org/10.1107/S2056989014027911
Publication status	Published - 1 Feb 2015

Bibliographical note

Financial support from the Brazilian agencies CNPq (grant No. 307592/2012–0) and CAPES (grant PVE A099/2013) is gratefully acknowledged. The authors also thank CNPq,CAPES and Fundac¸a˜o Arauca´ ria (Brazil) for fellowships.

Keywords

C - - H⋯πinteractions
Crystal structure
Dithiooxamide
Ethanedithioamide
Intramolecular N - - H⋯S hydrogen bonds

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10.1107/S2056989014027911Licence: CC BY

Crystal structure of N,N′-bis(4-methylphenyl)dithiooxamide
© 2015 Giannettoet al. Licence: Creative Commons Attribution (CC-BY) https://creativecommons.org/licenses/by/4.0
Final published version, 960 KBLicence: CC BY

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title = "Crystal structure of N,N′-bis(4-methyl-phenyl)dithiooxamide",

abstract = "Two half molecules of the title compound, C16H16N2S2, are present in the asymmetric unit and both molecules are completed by crystallographic inversion centers at the midpoints of the central C - C bonds: the lengths of these bonds [1.538 (5) and 1.533 (5) {\AA}] indicate negligible electronic delocalization. The trans-dithiooxamide fragment in each molecule is characterized by a pair of intramolecular N - H⋯S hydrogen bonds. In the crystal, molecules are linked by weak C - H⋯πs interactions, generating a three-dimensional network.",

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author = "Antonino Giannetto and Santo Lanza and Giuseppe Bruno and Francesco Nicol{\'o} and Rudbari, {Hadi Amiri} and Harrison, {W. T A}",

note = "Financial support from the Brazilian agencies CNPq (grant No. 307592/2012–0) and CAPES (grant PVE A099/2013) is gratefully acknowledged. The authors also thank CNPq,CAPES and Fundac¸a˜o Arauca´ ria (Brazil) for fellowships.",

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AU - Giannetto, Antonino

AU - Lanza, Santo

AU - Bruno, Giuseppe

AU - Nicoló, Francesco

AU - Rudbari, Hadi Amiri

A2 - Harrison, W. T A

N1 - Financial support from the Brazilian agencies CNPq (grant No. 307592/2012–0) and CAPES (grant PVE A099/2013) is gratefully acknowledged. The authors also thank CNPq,CAPES and Fundac¸a˜o Arauca´ ria (Brazil) for fellowships.

PY - 2015/2/1

Y1 - 2015/2/1

N2 - Two half molecules of the title compound, C16H16N2S2, are present in the asymmetric unit and both molecules are completed by crystallographic inversion centers at the midpoints of the central C - C bonds: the lengths of these bonds [1.538 (5) and 1.533 (5) Å] indicate negligible electronic delocalization. The trans-dithiooxamide fragment in each molecule is characterized by a pair of intramolecular N - H⋯S hydrogen bonds. In the crystal, molecules are linked by weak C - H⋯πs interactions, generating a three-dimensional network.

AB - Two half molecules of the title compound, C16H16N2S2, are present in the asymmetric unit and both molecules are completed by crystallographic inversion centers at the midpoints of the central C - C bonds: the lengths of these bonds [1.538 (5) and 1.533 (5) Å] indicate negligible electronic delocalization. The trans-dithiooxamide fragment in each molecule is characterized by a pair of intramolecular N - H⋯S hydrogen bonds. In the crystal, molecules are linked by weak C - H⋯πs interactions, generating a three-dimensional network.

KW - C - - H⋯πinteractions

KW - Crystal structure

KW - Dithiooxamide

KW - Ethanedithioamide

KW - Intramolecular N - - H⋯S hydrogen bonds

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Crystal structure of N,N′-bis(4-methyl-phenyl)dithiooxamide

Abstract

Bibliographical note

Keywords

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