Methyl (9aR,10S,11R,13aS,13bS)-9-oxo-6,7,9,9a,10,11-hexahydro-5H,13bH-11,13a-epoxypyrrolo[2 #8242;,1 #8242;:3,4][1,4]diazepino[2,1-a]isoindole-10-carboxylate

The title compound, C17H18N2O4, 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....

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Bibliographic Details
Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2011-11, Vol.67 (11), p.o2852-o2853
Main Authors: Flavien A. A. Toze, Inga K. Airiyan, Eugeniya V. Nikitina, Elena A. Sorokina, Victor N. Khrustalev
Format: Article
Language:English
Online Access:Get full text
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Summary:The title compound, C17H18N2O4, 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.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536811040360