rac-(Z)-Methyl 1-benzyl-3-[(3-hydroxy-quinuclidin-2-ylidene)methyl]-1H-indole-6-carboxylate

被引：0
|
作者：
Penthala, Narsimha Reddy [1 ]
Ponugoti, Purushotham Rao [1 ]
Parkin, Sean [2 ]
Crooks, Peter A. [1 ]
机构：
[1] Univ Arkansas Med Sci, Coll Pharm, Dept Pharmacal Sci, Little Rock, AR 72205 USA
[2] Univ Kentucky, Dept Chem, Lexington, KY 40506 USA
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2012年 / 68卷
关键词：
data-to-parameter ratio = 14.7; disorder in main residue; mean ̄(C-C) = 0.002 Å; R factor = 0.039; single-crystal X-ray study; T = 90 K; wR factor = 0.102;
D O I：
10.1107/S1600536812040731
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
In the title compound, C25H26N2O3, the double bond connecting the aza-bicyclic and indole units has Z geometry. The compound was obtained as a racemate, and since the crystal is centrosymmetric it contains equal amounts of the S and R enantiomers. However, the structure is disordered such that the asymmetric unit contains both enantiomers in unequal amounts [refined occupancies 0.904 (2) and 0.096 (2)]. The dihedral angle between the benzene ring of the benzyl group and the mean plane of the indole ring is 76.07 (3)degrees. In the crystal, molecules are linked by O-H center dot center dot center dot O-carbonyl hydrogen bonds into chains propagating in [110].
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收藏
页码：O3111 / +
页数：10
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