Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one

被引:10
作者
Hassan, Nur Hafiq Hanif [1 ]
Abdullah, Amzar Ahlami [1 ]
Arshad, Suhana [1 ]
Khalib, Nuridayanti Che [1 ]
Razak, Ibrahim Abdul [1 ]
机构
[1] Univ Sains Malaysia, Sch Phys, George Town 11800, Malaysia
关键词
crystal structure; chalcone; hydrogen bonding; Hirshfeld surface analysis;
D O I
10.1107/S2056989016006526
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title chalcone derivative, C16H11ClF2O2, the enone group adopts an E conformation. The dihedral angle between the benzene rings is 0.47 (9)degrees and an intramolecular C-H center dot center dot center dot F hydrogen bond closes an S(6) ring. In the crystal, molecules are linked into a three-dimensional network by C-H center dot center dot center dot O hydrogen bonds and aromatic pi-pi stacking interactions are also observed [centroid-centroid separation = 3.562((18) angstrom]. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis.
引用
收藏
页码:716 / +
页数:9
相关论文
共 13 条
[1]  
[Anonymous], 2005, TONTO
[2]   Synthesis of benzylideneacetophenones and their inhibition of lipid peroxidation [J].
Arty, IS ;
Timmerman, H ;
Samhoedi, M ;
Sastrohamidjojo ;
Sugiyanto ;
van der Goot, H .
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2000, 35 (04) :449-457
[3]  
Bruker, 2009, APEX2 SAINT SADABS
[4]   1-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one [J].
Harrison, William T. A. ;
Yathirajan, H. S. ;
Anilkumar, H. G. ;
Sarojini, B. K. ;
Narayana, B. .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2006, 62 :O3251-O3253
[5]   Synthesis of chalcone (3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one): Advantage of sonochemical method over conventional method [J].
Jarag, K. J. ;
Pinjari, D. V. ;
Pandit, A. B. ;
Shankarling, G. S. .
ULTRASONICS SONOCHEMISTRY, 2011, 18 (02) :617-623
[6]   Synthetic and biological activity evaluation studies on novel 1,3-diarylpropenones [J].
Mukherjee, S ;
Kumar, W ;
Prasad, AK ;
Raj, HG ;
Bracke, ME ;
Olsen, CE ;
Jain, SC ;
Parmar, VS .
BIOORGANIC & MEDICINAL CHEMISTRY, 2001, 9 (02) :337-345
[7]   Use of intensity quotients and differences in absolute structure refinement [J].
Parsons, Simon ;
Flack, Howard D. ;
Wagner, Trixie .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2013, 69 :249-259
[8]   (E)-3-[4-(Hexyloxy)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one [J].
Razak, Ibrahim Abdul ;
Fun, Hoong-Kun ;
Ngaini, Zainab ;
Rahman, Norashikin Irdawaty Abd ;
Hussain, Hasnain .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 :O1439-U3296
[9]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[10]  
Sheldrick GM, 2015, ACTA CRYSTALLOGR C, V71, P3, DOI [10.1107/S2053229614024218, 10.1107/S0108767307043930]