title: A novel extended N-methyl monopyrrolotetrathiafulvalene based on 2-methylene-4,5-bis(methylthio)-1,3-dithiole.
abstract: 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.
authors.affiliation: School of Chemistry and Life Sciences, Changchun University of Technology, Changchun 130012, China. hrb1018@163.com.
authors.forename: Ruibin
authors.initials: R
authors.lastname: Hou
authors.affiliation: School of Chemistry and Life Sciences, Changchun University of Technology, Changchun 130012, China. shangxiaohong58@aliyun.com.
authors.forename: Xiaohong
authors.initials: X
authors.lastname: Shang
authors.affiliation: School of Chemistry and Life Sciences, Changchun University of Technology, Changchun 130012, China. xiayan@mail.ccut.edu.cn.
authors.forename: Yan
authors.initials: Y
authors.lastname: Xia
authors.affiliation: State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, China. libao@jlu.edu.cn.
authors.forename: Bao
authors.initials: B
authors.lastname: Li
authors.affiliation: School of Chemistry and Life Sciences, Changchun University of Technology, Changchun 130012, China. lidongfeng@mail.ccut.edu.cn.
authors.forename: Dongfeng
authors.initials: D
authors.lastname: Li
mesh_terms: D006571:Heterocyclic Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D011758:Pyrroles / Q000737:chemistry*
chemical_list: D006571:Heterocyclic Compounds; D011758:Pyrroles; C063887:tetrathiafulvalene