Crystal structure and Hirshfeld surface analysis of (2E)-1-(3-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
Yükleniyor...
Tarih
2019
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 title compound, C15H10BrFO, the molecular structure consists of a 3-bromophenyl ring and a 4-fluorophenyl ring linked via a prop-2-en-1-one spacer. The 3-bromophenyl and 4-fluorophenyl rings make a dihedral angle of 48.90?(15)°. The molecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. In the crystal, molecules are linked by C—H?? interactions between the bromophenyl and fluorophenyl rings of molecules, resulting in a two-dimensional layered structure parallel to the ab plane. The molecular packing is stabilized by weak Br?H and F?H contacts, one of which is on the one side of each layer, and the second is on the other. The intermolecular interactions in the crystal packing were further analysed using Hirshfeld surface analysis, which indicates that the most significant contacts are Cl?H/H?Cl (20.8%), followed by C?H/H?C (31.1%), H?H (21.7%), Br?H/H?Br (14.2%), F?H/H?F (9.8%), O?H/H?O (9.7%).
Açıklama
TARAMAPUBMED
TARAMASCOPUS
TARAMAWOS
TARAMASCOPUS
TARAMAWOS
Anahtar Kelimeler
Crystal structure, 3-bromophenylring, 4-fluorophenyl ring, A prop-2-en-1-onespacer, Hirshfeld surface analysis
Kaynak
Acta Crystallographica Section E: Crystallographic Communications
WoS Q Değeri
N/A
Scopus Q Değeri
Q3
Cilt
75
Sayı
2
Künye
ATİOĞLU, Z., Bindya, S., AKKURT, M., & Chidan Kumar, C. S. (2019). Crystal structure and Hirshfeld surface analysis of 2E 1 3 bromo phen yl 3 4 fluoro phen yl prop 2 en 1 one. Acta Crystallographica Section E - CRYSTALLOGRAPHIC COMMUNICATIONS, 75(2), 146–149.
