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(+)-3,11-二氧代雄甾-4-烯-17β-羧酸:甾体酮酸中的链状氢键

(+)-3,11-Dioxoandrost-4-ene-17 beta-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid.

作者信息

Newman Jacob M, Lalancette Roger A, Thompson Hugh W

机构信息

Carl A. Olson Memorial Laboratories, Department of Chemistry, Rutgers University, Newark, NJ 07102, USA.

出版信息

Acta Crystallogr C. 2002 Jul;58(Pt 7):o402-4. doi: 10.1107/s0108270102009393. Epub 2002 Jun 20.

Abstract

The title keto acid, C(20)H(26)O(4), forms carboxyl-to-ketone hydrogen-bonding catemers [O...O = 2.653 (5) A and O[bond]H...O = 172 (5) degrees ], linking translationally related molecules via the A-ring ketone. The two molecules in the cell form two parallel counter-directional chains, screw-related in b. A total of four intermolecular C[bond]H...O[double bond]C close contacts was found, involving both ketone functions.

摘要

标题酮酸,化学式为C(20)H(26)O(4),形成羧基到酮的氢键二聚体[O...O = 2.653 (5) Å且O[键]H...O = 172 (5)°],通过A环酮连接平移相关的分子。晶胞中的两个分子形成两条平行的反向链,在b方向呈螺旋相关。总共发现了四个分子间C[键]H...O[双键]C紧密接触,涉及两个酮官能团。

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(+)-3-oxo-4-pregnene-20beta-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid.
Acta Crystallogr C. 2002 Jan;58(Pt 1):o22-3. doi: 10.1107/s0108270101018601. Epub 2001 Dec 14.

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