3-[(E)-2-(2-Methoxyphenyl)vinyl]-5,5-di-methylcyclohex-2-enone

被引:1
作者
Fatima, Zeenat [1 ]
Senthilkumar, Govindaraj [2 ]
Vadivel, A. [2 ]
Manikandan, Haridoss [2 ]
Velmurugan, Devadasan [1 ]
机构
[1] Univ Madras, Ctr Adv Study Crystallog & Biophys, Guindy Campus, Madras 600025, Tamil Nadu, India
[2] Annamalai Univ, Dept Chem, Annamalainagar 608002, Tamil Nadu, India
关键词
data-to-parameter ratio = 20.1; mean σ(C-C) = 0.004 A°; R factor = 0.085; single-crystal X-ray study; T = 293 K; wR factor = 0.283;
D O I
10.1107/S1600536814006527
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound, C17H20O2, has an E conformation about the bridging C=C bond. The cyclohexene ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap. Its mean plane makes a dihedral angle of 7.20 (12)degrees with the benzene ring. In the crystal, neighbouring molecules are connected via C-H center dot center dot center dot O hydrogen bonds, forming chains running along the a-axis direction.
引用
收藏
页码:O509 / +
页数:7
相关论文
共 9 条
[1]  
Bruker, 2008, APEX2 SAINT SADABS
[2]   GENERAL DEFINITION OF RING PUCKERING COORDINATES [J].
CREMER, D ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1354-1358
[3]   WinGX and ORTEP for Windows: an update [J].
Farrugia, Louis J. .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2012, 45 :849-854
[4]   3-[(E)-2-(4-Chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-one [J].
Fatima, Zeenat ;
Senthilkumar, Govindaraj ;
Vadivel, A. ;
Manikandan, Haridoss ;
Velmurugan, Devadasan .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2013, 69 :O1121-+
[5]   c-5-Hydroxy-r-2,c-4-bis(isopropoxycarbonyl)-t-5-methyl-t-3-phenylcyclohexanone [J].
Hema, R ;
Parthasarathi, V ;
Ravikumar, K ;
Pandiarajan, K ;
Murugavel, K .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2006, 62 :O703-O705
[6]  
Puetz C., 2003, US Patent Appl., Patent No. 20030096811
[7]  
Rajveer Ch., 2010, RES J PHARM BIOL CHE, V1, P99
[8]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[9]   Structure validation in chemical crystallography [J].
Spek, Anthony L. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :148-155