9-(5-Bromo-1H-indol-3-yl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dionedimethyl sulfoxide monosolvate

被引:8
作者
El-Khouly, Ahmed [1 ]
Yildirim, Sema Ozturk [2 ,3 ]
Butcher, Ray J. [2 ]
Simsek, Rahime [1 ]
Safak, Cihat [1 ]
机构
[1] Hacettepe Univ, Fac Pharm, Dept Pharmaceut Chem, TR-06100 Ankara, Turkey
[2] Howard Univ, Dept Chem, 525 Coll St NW, Washington, DC 20059 USA
[3] Erciyes Univ, Fac Sci, Dept Phys, TR-38039 Kayseri, Turkey
关键词
data-toparameter ratio = 15.3; disorder in solvent or counterion; mean ω(C-C) = 0.004 Å; R factor = 0.052; single-crystal X-ray study; T = 123 K; wR factor = 0.137;
D O I
10.1107/S1600536812045886
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C21H19BrN2O2 center dot C2H6OS, the indole ring system is essentially planar, with a maximum deviation of 0.050 (3) angstrom for the non-bridgehead C atom adjacent to the N atom. The two cyclohex-2-enone rings adopt half-chair conformations. An intramolecular C-H center dot center dot center dot O hydrogen bond occurs. The solvent molecule exhibits minor disorder of the S atom [site occupancies = 0.8153 (16) and 0.1847 (18)]. In the crystal, molecules are linked by N-H center dot center dot center dot O hydrogen bonds, forming layers parallel to the bc plane.
引用
收藏
页码:O3337 / +
页数:9
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