X-ray structure, hydrogen bonding and lattice energy analysis of (2E)-1-(anthracen-9-yl)-3-(4-substitutedphenyl)prop-2-en-1-ones

Abstract

(2E)-1-(anthracen-9-yl)-3-(4-chlorophenyl)prop-2-en-1-ones and (2E)-1-(anthracen-9-yl)-3-(4-nitrophenyl) prop-2-en-1-ones crystallize in the monoclinic crystal system with space group P21/c. Single-crystal X-ray diffraction data for both the compounds were collected on an X'Calibur CCD area detector diffractometer (Oxford Diffraction) using MoKa radiation (λ = 0.7107 Å) at 293(2) K. The crystal structures were solved by direct methods and refined by full-matrix least-square procedures to a final R value of 0.0468 [I] and 0.0486 [II]. The crystal structures as elucidated by X-ray diffraction methods show the presence of a few intermolecular interactions, and the nature and energetics associated with these interactions have been characterized using PIXEL software.