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(2,3,4)-1-乙基-2-(呋喃-2-基)-4-羟基-5-氧代吡咯烷-3-羧酸乙酯

Ethyl (2,3,4)-1-ethyl-2-(furan-2-yl)-4-hy-droxy-5-oxopyrrolidine-3-carboxyl-ate.

作者信息

Mohd Rosli Nor Habibah, Mohammat Mohd Fazli, Abdul Manan Mohd Abdul Fatah, Cordes David B, McKay Aidan P

机构信息

Faculty of Applied Sciences Universiti Teknologi MARA (UiTM) Pahang Jengka Campus 26400 Bandar Tun Abdul Razak Jengka Pahang Malaysia.

Centre of Chemical Synthesis & Polymer Technology Institute of Science Universiti Teknologi MARA Puncak Alam 42300 Puncak Alam Selangor Malaysia.

出版信息

IUCrdata. 2024 Nov 19;9(Pt 11):x241088. doi: 10.1107/S2414314624010885. eCollection 2024 Nov.

DOI:10.1107/S2414314624010885
PMID:39649090
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11618870/
Abstract

The title racemic oxopyrrolidine compound, CHNO, contains three stereogenic centres and crystallizes with two mol-ecules in the asymmetric unit. The five-membered pyrrolidine rings in both mol-ecules exhibit envelope conformations. The -ethyl group of one of the mol-ecules is disordered over two sets of sites in a 0.836 (4):0.164 (4) ratio. In the crystal, both mol-ecules form inversion dimers through pairwise O-H⋯O hydrogen bonds, generating (10) loops, which are linked into a three-dimensional network by weak C-H⋯O hydrogen bonds.

摘要

外消旋氧代吡咯烷化合物CHNO含有三个手性中心,在不对称单元中以两个分子结晶。两个分子中的五元吡咯烷环均呈现信封式构象。其中一个分子的乙基在两组位置上无序排列,比例为0.836 (4):0.164 (4)。在晶体中,两个分子通过成对的O-H⋯O氢键形成反演二聚体,产生(10)环,这些环通过弱C-H⋯O氢键连接成三维网络。

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