trans-rac-[1-Oxo-2-phenethyl-3-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl 4-methylbenzenesulfonate

被引:4
作者
Akkurt, Mehmet [1 ]
Yildirim, Sema Oeztuerk [1 ]
Bogdanov, Milen G. [2 ]
Kandinska, Meglena I. [2 ]
Buyukgungor, Orhan [3 ]
机构
[1] Erciyes Univ, Dept Phys, Fac Arts & Sci, TR-38039 Kayseri, Turkey
[2] Univ Sofia, Fac Chem, Sofia 1164, Bulgaria
[3] Ondokuz Mayis Univ, Dept Phys, Fac Arts & Sci, TR-55139 Samsun, Turkey
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2008年 / 64卷
关键词
D O I
10.1107/S1600536808029309
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound, C(29)H(27)NO(4)S(2), was synthesized by reaction of trans-rac-4-(hydroxymethyl)-2-phenethyl-3-(thio-phen-2- yl)-3,4-dihydroisoquinolin-1(2H)-one and 4-methyl-benzene-1- sulfonyl chloride in the presence of Et(3)N in CH(2)Cl(2). The relative orientations of the benzene ring (A) of the 3,4-dihydroisoquinolinone ring system, the thiophene ring (B), the benzene ring (C) of the methylbenzene group and the phenyl ring (D) result in the following dihedral angles: A/B = 80.91 (16), A/C = 22.79 (18), A/D = 9.9 (2), B/C = 80.73 (19), B/D = 88.9 (2) and C/D = 29.9 (2)degrees. The crystal structure is stabilized by weak intermolecular C-H center dot center dot center dot O hydrogen bonds and C-H center dot center dot center dot pi interactions.
引用
收藏
页码:O1955 / U4046
页数:13
相关论文
共 8 条
[1]   SIR97:: a new tool for crystal structure determination and refinement [J].
Altomare, A ;
Burla, MC ;
Camalli, M ;
Cascarano, GL ;
Giacovazzo, C ;
Guagliardi, A ;
Moliterni, AGG ;
Polidori, G ;
Spagna, R .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1999, 32 :115-119
[2]  
[Anonymous], 1999, J. Appl. Crystallogr, DOI [DOI 10.1107/S0021889899006020, 10.1107/S0021889899006020]
[3]   GENERAL DEFINITION OF RING PUCKERING COORDINATES [J].
CREMER, D ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1354-1358
[4]  
Farrugia L.J., 1997, J APPL CRYSTALLOGR, V30, P565
[5]   Synthesis of new trans-2-benzyl-3-(furan-2-yl)-4-substituted-1,2,3,4-tetrahydroisoquinolinones [J].
Kandinska, Meglena I. ;
Kozekov, Ivan D. ;
Palamareva, Mariana D. .
MOLECULES, 2006, 11 (06) :403-414
[6]   Isoquinolin-1-one inhibitors of the MDM2-p53 interaction [J].
Rothweiler, Ulli ;
Czarna, Anna ;
Krajewski, Marcin ;
Ciombor, Jolanta ;
Kalinski, Cedric ;
Khazak, Vladimir ;
Ross, Guenther ;
Skobeleva, Natalia ;
Weber, Lutz ;
Holak, Tad A. .
CHEMMEDCHEM, 2008, 3 (07) :1118-1128
[7]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[8]  
Stoe & Cie, 2002, X AREA X RED32