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].

引用

页码：O3111 / +

页数：10

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