(E)-1-([1,1 '-Biphenyl]-4-yl)-3-(2-methylphenyl)prop-2-en-1-one

被引：4

作者：

Shanthi, D. ^{[1
]}

Sagar, T. Vidhya ^{[1
]}

Kayalvizhi, M. ^{[2
]}

Vasuki, G. ^{[2
]}

Thiruvalluvar, A. ^{[3
]}

机构：

[1] Annamalai Univ, Dept Chem, Annamalainagar 608002, Tamil Nadu, India

[2] Kunthavai Naachiar Govt Arts Coll W Autonomous, Dept Phys, Thanjavur 613007, Tamil Nadu, India

[3] Rajah Serfoji Govt Coll Autonomous, Postgrad Res Dept Phys, Thanjavur 613005, Tamil Nadu, India

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2014年 / 70卷

关键词：

Data-to-parameter ratio = 21.7; Mean-(C-C) = 0.002 Å; R factor = 0.048; Single-crystal X-ray study; T = 273 K; WR factor = 0.151;

D O I：

10.1107/S1600536814014317

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title molecule, C22H18O, the o-tolyl ring is connected through a conjugated double bond. The molecule adopts an E conformation and the C-C=C-C torsion angle is 178.77 (13)degrees. The overall conformation may be described by the values of dihedral angles between the different planes. The terminal rings are twisted by an angle of 54.75 (8)degrees, while the biphenyl part is not planar, the dihedral angle between the planes of the rings being 40.65 (8)degrees. The dihedral angle between the benzene rings is 14.10 (7)degrees. There are three weak C-H center dot center dot center dot pi interactions found in the crystal structure. No classic hydrogen bonds are observed.

引用

页码：0809 / +

页数：8

共 13 条

[1] TABLES OF BOND LENGTHS DETERMINED BY X-RAY AND NEUTRON-DIFFRACTION .1. BOND LENGTHS IN ORGANIC-COMPOUNDS [J].

ALLEN, FH ;

KENNARD, O ;

WATSON, DG ;

BRAMMER, L ;

ORPEN, AG ;

TAYLOR, R .

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1987, (12) :S1-S19

[2] (E)-1-(4,4"-Difluoro-5′-methoxy-1,1′:3′,1"-terphenyl-4′-yl)-3-(4-nitrophenyl)prop-2-en-1-one [J].

Betz, Richard ;

Gerber, Thomas ;

Hosten, Eric ;

Samshuddin, S. ;

Narayana, Badiadka ;

Yathirajan, Hemmige S. .

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 :O3179-U1339

[3] (2E)-1-(4,4"-Difluoro-5′-methoxy-1,1′:3′, 1"-terphenyl-4′-yl)-3-(4-fluorophenyl)prop-2-en-1-one [J].

Betz, Richard ;

Gerber, Thomas ;

Hosten, Eric ;

Samshuddin, S. ;

Narayana, Badiadka ;

Sarojini, Balladka K. .

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 :O2996-U1054

[4]

Bruker, 2004, APEX2 SAINT XPREP SA

[5]

Dimmock JR, 1999, CURR MED CHEM, V6, P1125

[6] WinGX and ORTEP for Windows: an update [J].

Farrugia, Louis J. .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2012, 45 :849-854

[7] INFLUENCE OF THE RING-SUBSTITUTION ON THE 2ND HARMONIC-GENERATION OF CHALCONE DERIVATIVES [J].

FICHOU, D ;

WATANABE, T ;

TAKEDA, T ;

MIYATA, S ;

GOTO, Y ;

NAKAYAMA, M .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS, 1988, 27 (03) :L429-L430

[8] 2ND HARMONIC-GENERATION AND CRYSTAL-GROWTH OF SUBSTITUTED THIENYL CHALCONE [J].

GOTO, Y ;

HAYASHI, A ;

KIMURA, Y ;

NAKAYAMA, M .

JOURNAL OF CRYSTAL GROWTH, 1991, 108 (3-4) :688-698

[9]

Opletalova V, 1999, Ceska Slov Farm, V48, P252

[10]

Opletalova V, 2000, Ceska Slov Farm, V49, P278

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