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

Bulletin of Materials Science

关键词: Anthracene;    prop-2-en-1-one;    crystal structure;    intermolecular interactions;    lattice energy;    PIXEL.;   

学科分类：材料工程

来源: Indian Academy of Sciences

【 摘 要 】

(2$E$)-1-(anthracen-9-yl)-3-(4-chlorophenyl)prop-2-en-1-ones and (2$E$)-1-(anthracen-9-yl)-3-(4-nitrophenyl) prop-2-en-1-ones crystallize in the monoclinic crystal system with space group P2$_1$/c. Single-crystal X-ray diffraction data for both the compounds were collected on an X’Calibur CCD area detector diffractometer (Oxford Diffraction)using Mo$K\alpha$ radiation ($\lambda = 0.7107$ $\AA$) 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.

【 授权许可】

CC BY