Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-bromo-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Yükleniyor...
Tarih
2018
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Erişim Hakkı
Attribution-NonCommercial-ShareAlike 4.0 International
info:eu-repo/semantics/openAccess
info:eu-repo/semantics/openAccess
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)°, and form a dihedral angle 17.91?(17)°. In the crystal, centrosymmetrically related molecules are linked by pairs of C—H...O hydrogen bonds into dimeric units, forming rings of R22(14) graph-set motif. The dimers are further connected by weak C—H...O hydrogen interactions, forming layers parallel to (10\overline{1}). Hirshfeld surface analysis shows that van der Waals interactions constitute the major contribution to the intermolecular interactions, with H...H contacts accounting for 29.7% of the surface.
Açıklama
TARAMAPUBMED
TARAMASCOPUS
TARAMAWOS
TARAMASCOPUS
TARAMAWOS
Anahtar Kelimeler
Crystal structure, Hydrogen contacts, 3-bromo-4-fluorophenyl ring, Dimethoxyphenyl ring, Hirshfeld surface
Kaynak
Acta Crystallographica Section E: Crystallographic Communications
WoS Q Değeri
N/A
Scopus Q Değeri
Q3
Cilt
74
Sayı
8
Künye
Sheshadri, S. N., ATİOĞLU, Z., AKKURT, M., Veeraiah, M. K., Quah, C. K., Chidan Kumar, C. S., & Siddaraju, B. P. (2018). Crystal structure and Hirshfeld surface analysis of 2E 3 3 bromo 4 fluoro phen yl 1 3 4 di meth oxy phen yl prop 2 en 1 one. Acta Crystallographica Section E, 74(8), 1063–1066.
