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

Sheshadri, S.; ATİOĞLU, Zeliha; AKKURT, MEHMET; Veeraiah, M.; QUAH, Ching; Kumar, C.; Siddaraju, B.

doi:10.1107/s2056989018009416

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

Atıf İçin Kopyala

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

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.74, ss.1063-1071, 2018 (ESCI)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 74
Basım Tarihi: 2018
Doi Numarası: 10.1107/s2056989018009416
Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
Sayfa Sayıları: ss.1063-1071
Erciyes Üniversitesi Adresli: Evet

Özet

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.