Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-bromo-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one


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Sheshadri S. N. , ATİOĞLU Z., AKKURT M., Veeraiah M. K. , QUAH C. K. , Kumar C. S. C. , ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.74, pp.1063-1071, 2018 (ESCI) identifier identifier identifier

Abstract

In the molecule of the title compound, C17H14BrFO3, the aromatic rings are tilted with respect to the enone bridge by 13.63 (14) and 4.27 (15)degrees, and form a dihedral angle 17.91 (17)degrees. In the crystal, centrosymmetrically related molecules are linked by pairs of C-H center dot center dot center dot O hydrogen bonds into dimeric units, forming rings of R-2(2)(14) graph-set motif. The dimers are further connected by weak CH center dot center dot center dot O hydrogen interactions, forming layers parallel to (10 (1) over bar). Hirshfeld surface analysis shows that van der Waals interactions constitute the major contribution to the intermolecular interactions, with H center dot center dot center dot H contacts accounting for 29.7% of the surface.