Ethyl 4-(5-bromo-2-hydroxyphenyl)2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

被引:2
作者
Kurbanova, Malahat M. [1 ]
Huseynov, Elnur Z. [1 ]
Gurbanov, Atash V. [1 ]
Maharramov, Abel M. [1 ]
Kia, Reza [2 ,3 ]
机构
[1] Baku State Univ, Dept Organ Chem, Baku, Azerbaijan
[2] Islamic Azad Univ, Dept Chem, Sci & Res Branch, Tehran, Iran
[3] Max Planck Inst Biophys Chem, Struct Dynam Biochem Syst, D-37077 Gottingen, Germany
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2013年 / 69卷
关键词
D O I
10.1107/S1600536813006739
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C21H24BrNO4, the dihedral angle between the heterocyclic ring and the pendant aromatic ring is 80.20 (13)degrees. The hexahydroquinone [i.e. the one with the C=O group] ring adopts a sofa conformation. An intramolecular O-H center dot center dot center dot O hydrogen bond generates an S(6) ring motif. The ethyl group is disordered over two sets of sites with a refined site occupancy ratio of 0.633 (10):0.366 (10). In the crystal, molecules are linked by N-H center dot center dot center dot O interactions, forming chains parallel to [101]. There are no significant C-H center dot center dot center dot pi or pi-pi interactions in the crystal structure.
引用
收藏
页码:O541 / +
页数:10
相关论文
共 10 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]   PATTERNS IN HYDROGEN BONDING - FUNCTIONALITY AND GRAPH SET ANALYSIS IN CRYSTALS [J].
BERNSTEIN, J ;
DAVIS, RE ;
SHIMONI, L ;
CHANG, NL .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1995, 34 (15) :1555-1573
[3]  
Bruker, 2005, APEX2 SAINT SADABS
[4]  
Klusa V., 1995, Drugs of the Future, V20, P135
[5]   An efficient, catalyst- and solvent-free, four-component, and one-pot synthesis of polyhydroquinolines on grinding [J].
Kumar, Satish ;
Sharma, Poonam ;
Kapoor, Kamal K. ;
Hundal, Maninder Singh .
TETRAHEDRON, 2008, 64 (03) :536-542
[6]   Chemical identification of binding sites for calcium channel antagonists [J].
Nakayama, H ;
Kanaoka, Y .
HETEROCYCLES, 1996, 42 (02) :901-909
[7]  
SAUSINS A, 1988, HETEROCYCLES, V27, P269
[8]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[9]  
Song S. J., 2012, SYNTHETIC COMMUN, V40, P3067
[10]   Structure validation in chemical crystallography [J].
Spek, Anthony L. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :148-155