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Open AccessArticle

A Novel Extended N-Methyl Monopyrrolotetrathiafulvalene Based on 2-Methylene-4,5-Bis(Methylthio)-1,3-Dithiole

by Ruibin Hou 1,2, Xiaohong Shang 1, Yan Xia 1, Bao Li 3,* and Dongfeng Li 1,*
1
School of Chemistry and Life Sciences, Changchun University of Technology, Changchun 130012, China
2
Advanced Institute of Materials Science, Changchun University of Technology, Changchun 130012, China
3
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, China
*
Authors to whom correspondence should be addressed.
Molecules 2014, 19(12), 20314-20324; https://doi.org/10.3390/molecules191220314
Received: 11 October 2014 / Revised: 21 November 2014 / Accepted: 24 November 2014 / Published: 4 December 2014
(This article belongs to the Section Organic Chemistry)
The title compound was prepared via a cross-coupling reaction and its crystal structure has been determined. It crystallized in the triclinic space group P-1 with cell parameters: a = 8.552(2) Å, b = 11.310(2) Å, c = 16.150(3) Å, α = 109.55(3)°, β = 91.45(3)°, γ = 91.28(3)°, V = 1470.6(5) Å3, Z = 2 at 296 K. There is one molecule in the asymmetric unit. In the crystal structure, the neighboring molecules from dimers by weak intermolecular π···π interactions between the pyrrole and tetrathiafulvalene units. The dimers are further linked through C-H···π interactions to generate one-dimensional chains along the [100] direction. The arrangement of the molecules corresponds to an overlap between the HOMO and LUMO. View Full-Text
Keywords: cross-coupling reaction; tetrathiafulvalene; pyrrole; crystal structure cross-coupling reaction; tetrathiafulvalene; pyrrole; crystal structure
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Hou, R.; Shang, X.; Xia, Y.; Li, B.; Li, D. A Novel Extended N-Methyl Monopyrrolotetrathiafulvalene Based on 2-Methylene-4,5-Bis(Methylthio)-1,3-Dithiole. Molecules 2014, 19, 20314-20324.

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