Suppr超能文献

草酸氢(二甲基磷酰基)甲铵 - 草酸(2/1)

(Di-methyl-phosphor-yl)methanaminium hydrogen oxalate-oxalic acid (2/1).

作者信息

Bialek Sebastian, Clemens Rebecca, Reiss Guido J

机构信息

Institut für Anorganische Chemie und Strukturchemie, Lehrstuhl II: Material- und Strukturforschung, Heinrich-Heine-Universität Düsseldorf, Universitätsstrasse 1, D-40225 Düsseldorf, Germany.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Feb 15;70(Pt 3):o312. doi: 10.1107/S1600536814002931. eCollection 2014 Mar 1.

Abstract

The reaction of (di-methyl-phosphor-yl)methanamine (dpma) with oxalic acid in ethanol yielded the title solvated salt, C3H11NOP(+)·C2HO4 (-)·0.5C2H2O4. Its asymmetric unit consists of one dpmaH(+) cation, one hydrogen oxalate anion and a half-mol-ecule of oxalic acid located around a twofold rotation axis. The H atom of the hydrogen oxalate anion is statistically disordered over two positions that are trans to each other. The hydrogen oxalate monoanion is not planar (bend angle ∼16°) whereas the oxalic acid molecule shows a significantly smaller bend angle (∼7°). In the crystal, the components are connected by strong O-H⋯O and much weaker N-H⋯O hydrogen bonds, leading to the formation of layers extending parallel to (001). The structure was refined from a racemically twinned crystal with twin components in an approximate 1:1 ratio.

摘要

(二甲基磷酰基)甲胺(dpma)与草酸在乙醇中反应生成了标题溶剂化盐C₃H₁₁NOP⁺·C₂HO₄⁻·0.5C₂H₂O₄。其不对称单元由一个dpmaH⁺阳离子、一个草酸氢根阴离子和位于二次旋转轴周围的半个草酸分子组成。草酸氢根阴离子的H原子在彼此反式的两个位置上呈统计无序分布。草酸氢单阴离子不是平面的(弯曲角约16°),而草酸分子的弯曲角明显更小(约7°)。在晶体中,各组分通过强O—H⋯O和弱得多的N—H⋯O氢键相连,导致形成平行于(001)延伸的层。该结构是从一个外消旋孪晶晶体中精修得到的,孪晶组分比例约为1:1。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0a5b/3998424/1203276cc9df/e-70-0o312-fig1.jpg

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验