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Methyl (9aR*,10S*,11R*,13aS*,13bS*)-9-oxo-6,7,9,9a,10,11-hexa­hydro-5H,13bH-11,13a-ep­oxy­pyrrolo­[2′,1′:3,4][1,4]diazepino[2,1-a]isoindole-10-carboxyl­ate

The title compound, C(17)H(18)N(2)O(4), is the methyl ester of the adduct of intra­molecular Diels–Alder reaction between maleic anhydride and 1-(2-fur­yl)-2,3,4,5-tetra­hydro-1H-pyrrolo­[1,2-a][1,4]diazepine. The mol­ecule comprises a fused penta­cyclic system containing four five-membered rings (v...

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Detalles Bibliográficos
Autores principales: Toze, Flavien A. A., Airiyan, Inga K., Nikitina, Eugeniya V., Sorokina, Elena A., Khrustalev, Victor N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247590/
https://www.ncbi.nlm.nih.gov/pubmed/22219895
http://dx.doi.org/10.1107/S1600536811040360
Descripción
Sumario:The title compound, C(17)H(18)N(2)O(4), is the methyl ester of the adduct of intra­molecular Diels–Alder reaction between maleic anhydride and 1-(2-fur­yl)-2,3,4,5-tetra­hydro-1H-pyrrolo­[1,2-a][1,4]diazepine. The mol­ecule comprises a fused penta­cyclic system containing four five-membered rings (viz. pyrrole, 2-pyrrolidinone, tetra­hydro­furan and dihydro­furan) and one seven-membered ring (1,4-diazepane). The pyrrole ring is approximately planar (r.m.s. deviation = 0.003 Å) while the 2-pyrrolidinone, tetra­hydro­furan and dihydro­furan five-membered rings have the usual envelope conformations. The central seven-membered diazepane ring adopts a boat conformation. In the crystal, mol­ecules are bound by weak inter­molecular C—H⋯O hydrogen-bonding inter­actions into zigzag chains propagating in [010]. In the crystal packing, the chains are stacked along the a axis.