Structures of (2E,5E)-2-(4-cyanobenzylidene)-5-(4-dimethylaminobenzylidene)cyclopentanone and (2E,5E)-2-benzylidene-5-cinnamylidenecyclopentanone

摘要

The X-ray crystal structures of (2E,5E)-2-(4-cyanobenzylidene)-5-(4-dimethylaminobenzylidene)cyclopentanone (I) and (2E,5E)-2-benzylidene-5-cinnamylidenecyclopentanone (II) are presented, compared to the gas phase structures calculated using density functional theory, and discussed in the context of the photophysical behavior exhibited by I and II. Compound ! crystallizes in the triclinic space group PT with a = 6.8743(2) angstrom, b = 8.8115(2) angstrom, c = 14.9664(4) angstrom, alpha = 77.135(2)degrees, beta = 81.351(2)degrees, gamma = 80.975(2)degrees, and Z = 2, and exhibits a planar structure. Compound II crystallizes in the monoclinic space group C2/c with a = 33.4281(10) angstrom, b = 11.9668(4) angstrom, c = 7.8031(2) angstrom, beta = 92.785(2)degrees, and Z = 8, and adopts a nonplanar structure in the solid state and calculated structure. (C) 2017 Elsevier B.V. All rights reserved.