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2-硼基-1H-吡咯-1-羧酸叔丁酯

tert-Butyl 2-borono-1H-pyrrole-1-carboxyl-ate.

作者信息

Zhong Zheng, Lin Guo-Qiang, Sun Zhi-Hua, Wang Bing

机构信息

Department of Chemistry, Fudan University, 220 Handan Road, Shanghai, 200433, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 6;65(Pt 4):o687. doi: 10.1107/S1600536809007375.

DOI:10.1107/S1600536809007375
PMID:21582429
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969006/
Abstract

In the crystal structure of the title compound, C(9)H(14)BNO(4), the boronic acid group and carbamate groups are nearly co-planar with the pyrrole ring, making dihedral angles of 0.1 (2) and 2.2 (2)°, respectively. Intra-molecular and inter-molecular O-H⋯O hydrogen bonds help to stabilize the structure, the latter interaction leading to inversion dimers..

摘要

在标题化合物C(9)H(14)BNO(4)的晶体结构中，硼酸基团和氨基甲酸酯基团与吡咯环几乎共平面，二面角分别为0.1 (2)°和2.2 (2)°。分子内和分子间的O—H⋯O氢键有助于稳定结构，后一种相互作用导致形成反演二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f39a/2969006/24cffcefed4b/e-65-0o687-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f39a/2969006/24cffcefed4b/e-65-0o687-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f39a/2969006/24cffcefed4b/e-65-0o687-fig1.jpg

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本文引用的文献

1
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.