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5-二茂铁基-5a-羟基-1-甲基-10-氧代-2,3,3a,4,5a,10-六氢-1H-茚并[1,2:2',3']呋喃并[3',4'-b]吡咯-3a-羧酸甲酯

Methyl 5-ferrocenyl-5a-hydr-oxy-1-methyl-10-oxo-2,3,3a,4,5a,10-hexa-hydro-1H-indeno[1,2:2',3']furo[3',4'-b]pyrrole-3a-carboxyl-ate.

作者信息

Kamala E Theboral Sugi, Nirmala S, Sudha L, Kathiravan S, Raghunathan R

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 May 29;65(Pt 6):m687-8. doi: 10.1107/S1600536809018583.

DOI:10.1107/S1600536809018583
PMID:21583045
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969822/
Abstract

In the title compound, [Fe(C(5)H(5))(C(21)H(20)NO(5))], the pyrrolidine and cyclo-penta-none rings exhibit a twist conformation. The pyrrolidine ring is almost perpendicular to the cyclo-penta-none ring, making a dihedral angle of 81.91 (6)°. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond and C-H⋯O inter-actions. The crystal structure is stabilized by inter-molecular C-H⋯O inter-actions.

摘要

在标题化合物[Fe(C₅H₅)(C₂₁H₂₀NO₅)]中，吡咯烷环和环戊酮环呈扭曲构象。吡咯烷环几乎垂直于环戊酮环，二面角为81.91 (6)°。分子构象通过分子内O—H⋯N氢键和C—H⋯O相互作用得以稳定。晶体结构通过分子间C—H⋯O相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/65d4/2969822/96389fbaae25/e-65-0m687-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/65d4/2969822/50edf20f1d4a/e-65-0m687-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/65d4/2969822/96389fbaae25/e-65-0m687-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/65d4/2969822/50edf20f1d4a/e-65-0m687-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/65d4/2969822/96389fbaae25/e-65-0m687-fig2.jpg

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