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

Molecules

Ruibin Hou²  Xiaohong Shang²  Yan Xia²  Bao Li¹  Dongfeng Li² 

[1] State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, China;School of Chemistry and Life Sciences, Changchun University of Technology, Changchun 130012, China; E-Mails:

关键词: cross-coupling reaction;    tetrathiafulvalene;    pyrrole;    crystal structure;   

DOI  :  10.3390/molecules191220314

来源: mdpi

【 摘 要 】

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) ų, 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.

【 授权许可】

CC BY   
© 2014 by the authors; licensee MDPI, Basel, Switzerland.