In this work, we have obtained 1,1'-(3,4-diphenylthieno- [2,3-b]thiophene-2,5-diyl-)bis(propan-1-one) (3), via recrystallization of 1,1'-(3,4- diphenylthieno[2,3-b]thiophene-2,5-diyl)-bis(2-bromoethanone) (2) from a mixture of DMF and chloroform. Structure of compound 3 was confirmed by single X-ray diffraction. The compound crystallizes in the orthorhombic, Pbcn with a =13.6934 (5) Å, b =19.3166 (6) Å, c =7.4283 (3) Å, V = 1964.86 (12) (Å3), and Z = 4. Optimized molecular structure calculations with the aid of B3LYP/6-31G (d, p) DFT agreed well with experimental results obtained from X-ray data. Calculations revealed that the two bivalent sulfur atoms have electropositive nature whereas the two O-atoms are electronegative.

Title

HETEROCYCLES

Publisher

The Japan Institute of Heterocyclic Chemistry

Publisher Country

Japan

Indexing

Thomson Reuters

Impact Factor

1.107

Publication Type

Prtinted only

Volume

94

Year

2017

Pages

1-11