Premium
The Synthesis and the X‐Ray Structure of 1,4‐Bis(2‐{4‐[2‐(4‐methylthiophenyl)ethynyl]phenyl}ethynyl)‐2,5‐dihexyloxybenzene
Author(s) -
Xue Cuihua,
Luo FenTair
Publication year - 2004
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.200400207
Subject(s) - chemistry , dihedral angle , benzene , conjugated system , molecule , crystallography , x ray , triple bond , sulfur , crystal structure , carbon fibers , stereochemistry , double bond , organic chemistry , hydrogen bond , physics , materials science , quantum mechanics , composite number , composite material , polymer
The synthesis and the single crystal structure of the title compound (I), C 52 H 50 O 2 S 2 , consisting of five benzene rings and four carbon‐carbon triple bonds and with methylthio groups at both ends were described. The distance, according to the X‐ray data, between the two ended sulfur atoms of compound (I) was close to the calculated value from Spartan'04//Hartree‐Fock//3–21G(*). The dihedral angle between the adjacent two benzene rings in this linear conjugated molecule is about 17°.