Crystal structure of (4E)-4-(8-methoxy-2H-chromen-2-ylidene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

被引:0
作者
Salim, Muhammad [1 ]
Munawar, Munawar Ali [1 ]
Tahir, Muhammad Nawaz [2 ]
Shahid, Muhammad [1 ]
Malik, Khizar Iqbal [1 ]
机构
[1] Univ Punjab, Dept Chem, Lahore, Punjab, Pakistan
[2] Univ Sargodha, Dept Phys, Sargodha, Punjab, Pakistan
关键词
crystal structure; pyrazolone; pi-pi interactions;
D O I
10.1107/S2056989015009445
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C20H16N2O3, the phenyl substituent attached to the pyrazole ring makes a dihedral angle of 4.87 (7)degrees with the rest of the molecule. In the crystal, molecules are connected into inversion dimers of the R-2(2)(14) type by pairs of C-H center dot center dot center dot O interactions. pi-pi interactions exist between the benzene and pyrazole rings at a distance of 3.701 (1) angstrom. Similarly, pi-pi interactions are present at a centroid-centroid distance of 3.601 (1) angstrom between the oxygen-containing heterocyclic ring and methoxy substituted aromatic ring of a neighbouring molecule. Additional C-H center dot center dot center dot pi and C=O center dot center dot center dot pi interactions are also observed.
引用
收藏
页码:O414 / U347
页数:9
相关论文
共 9 条
[1]  
Bruker, 2007, APEX2 SAINT
[2]  
Bruker, 2005, SADABS
[3]   (4Z)-4-[(2E)-1-Hydroxy-3-(3-nitrophenyl) prop-2-en-1-ylidene]-3-methyl-1-(4-methylphenyl)- 1H-pyrazol-5(4H)-one [J].
Chaudhry, Faryal ;
Tahir, M. Nawaz ;
Khan, Misbahul Ain ;
Ather, Abdul Qayyum ;
Asif, Nadia .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 :O2044-+
[4]   WinGX and ORTEP for Windows: an update [J].
Farrugia, Louis J. .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2012, 45 :849-854
[5]   4-acyl-5-methyl-2-phenylpyrazolones: NMR and X-ray structure investigations [J].
Holzer, W ;
Mereiter, K ;
Plagens, B .
HETEROCYCLES, 1999, 50 (02) :799-818
[6]   (4Z)-4-[(2E)-1-Hydroxy-3-(4-methoxyphenyl)prop-2-enylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one [J].
Malik, Khizar Iqbal ;
Munawar, Munawar Ali ;
Khan, Misbahul Ain ;
Nadeem, Sohail ;
Mukhtar-ul-Hassan .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 :O3046-U191
[7]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[8]  
Sheldrick GM, 2015, ACTA CRYSTALLOGR C, V71, P3, DOI [10.1107/S2053229614024218, 10.1107/S0108767307043930]
[9]   Structure validation in chemical crystallography [J].
Spek, Anthony L. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :148-155