Crystal structure of methyl (3RS,4SR,4aRS,11aRS,11bSR)-5-oxo-3,4,4a,5,7,8,9,10,11,11a-deca­hydro-3,11b-ep­oxy­azepino[2,1-a]iso­indole-4-carboxyl­ate

Acta Crystallographica Section E: Crystallographic Communications

Khrustalev, V.N.¹  Porras, C.²  Toze, F.A.A.³  Zubkov, F.I.⁴  Poplevin, D.S.⁴  Nikitina, E.V.⁴ 

[1] Biology, New Mexico Highlands University, 803 University Ave, Las Vegas, NM 87701, USA;Department of Chemistry &Department of Chemistry, University of Douala, Faculty of Sciences, PO Box 24157, Douala, Republic of Cameroon;Department of Organic Chemistry, Peoples' Friendship University of Russia, 6 Miklukho-Maklay St, Moscow 117198, Russian Federation

关键词: CRYSTAL STRUCTURE;    3,6A-EPOXYISOINDOLES;    AZEPANE;    INTRAMOLECULAR CYCLOADDITION;    C-H...O HYDROGEN BONDS;   

DOI  :  10.1107/S2056989015016679

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, C15H19NO4, is the a product of the esterification of the corresponding carbonic acid with methanol. The mol­ecule comprises a fused tetra­cyclic system containing three five-membered rings (2-pyrrolidinone, tetra­hydro­furan and di­hydro­furan) and one seven-membered ring (azepane). The five-membered rings have the usual envelope conformations, with the quaternary C atom being the flap atom for the 2-pyrrolidinone ring, and the ether O atom being the common flap atom for the remaining rings. The seven-membered azepane ring adopts a chair conformation with the methine and middle methyl­ene C atoms lying above and below the mean plane defined by the remaining five atoms. The carboxyl­ate substituent is rotated by 77.56 (5)° with respect to the base plane of the tetra­hydro­furan ring. In the crystal, the mol­ecules are bound by weak C—H⋯O hydrogen-bonding inter­actions into puckered layers parallel to (001).

【 授权许可】

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