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
Zeliha AtioğluC S Chidan Kumar

Abstract

In the title compound, C15H10BrFO, the mol-ecular structure consists of a 3-bromo-phenyl ring and a 4-fluoro-phenyl 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 mol-ecule 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, mol-ecules are linked by C-H⋯π inter-actions between the bromo-phenyl and fluoro-phenyl rings of mol-ecules, resulting in a two-dimensional layered structure parallel to the ab plane. The mol-ecular 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 inter-molecular inter-actions 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%).

References

Dec 25, 2007·Acta Crystallographica. Section A, Foundations of Crystallography·George M Sheldrick
Jan 26, 2008·Chemical Communications : Chem Comm·Joshua J McKinnonMark A Spackman
Jan 28, 2009·Acta Crystallographica. Section D, Biological Crystallography·Anthony L Spek
Jan 1, 2008·Acta Crystallographica. Section E, Structure Reports Online·Hoong-Kun FunS M Dharmaprakash
Jan 1, 2009·Acta Crystallographica. Section E, Structure Reports Online·Grzegorz DutkiewiczMaciej Kubicki
Jan 1, 2010·Acta Crystallographica. Section E, Structure Reports Online·William T A HarrisonB Narayana
Jan 1, 2010·Acta Crystallographica. Section E, Structure Reports Online·Jerry P JasinskiA N Mayekar
Mar 14, 2012·Acta Crystallographica. Section E, Structure Reports Online·Zhe LiShenghui Chu
Mar 14, 2012·Acta Crystallographica. Section E, Structure Reports Online·Carlos A EscobarMauricio Fuentealba
Oct 1, 2013·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·C S Chidan KumarHoong-Kun Fun
Oct 18, 2013·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·C S Chidan KumarHoong-Kun Fun
Jul 18, 2014·Annals of Medical and Health Sciences Research·Aa ShahM Gopee
Jan 9, 2015·Acta Crystallographica. Section C, Structural Chemistry·George M Sheldrick
May 23, 2015·Acta Crystallographica. Section E, Crystallographic Communications·K S EzhilarasiG Usha
Jul 14, 2018·Acta Crystallographica. Section E, Crystallographic Communications·S N SheshadriM K Veeraiah
Aug 18, 2018·Acta Crystallographica. Section E, Crystallographic Communications·S N SheshadriB P Siddaraju

❮ Previous
Next ❯

Software Mentioned

CrystalExplorer

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.