Hydrogen bonding and sodium coordination in the crystal structure of tetrasodium (3-((2,4-dinitrophenyl)amino)-1-hydroxypropane-1,1-diyl)-bis-phosphonate pentahydrate - a N-substituted Pamidronate

被引：1

作者：

Reiss, Guido J. ^{[1
]}

Puhl, Marco ^{[2
]}

Haegele, Gerhard ^{[3
]}

机构：

[1] Heinrich Heine Univ Dusseldorf, Lehrstuhl Mat & Strukturforsch, Inst Anorgan Chem & Strukturchem, Dusseldorf, Germany

[2] Keim Additec Surface GmbH, Kirchberg Hunsruck, Germany

[3] Heinrich Heine Univ Dusseldorf, Inst Anorgan Chem & Strukturchem, Univ Str 1, D-40225 Dusseldorf, Germany

来源：

PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS | 2019年 / 194卷 / 03期

关键词：

Bisphosphonates; crystal structure; hydrogen bonding; N-substituted pamidronate; sodium coordination;

D O I：

10.1080/10426507.2018.1539490

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The reaction of 1-fluoro-2,4-dinitrobenzene with (3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonic acid) (pamidronic acid) 1a in combination with NAOH leads to disodium (3-((2,4-dinitrophenyl)amino)-1-hydroxy-propane-1,1-diyl)bis(phosphonate) heptahydrate 2 and further to tetrasodium (3-((2,4-dinitrophenyl)amino)-1-hydroxy-propane-1,1-diyl)bis(phosphonate) pentahydrate 3. The crystal structure of 3 is composed of the organic anion, which is coordinated to the sodium counter cations and furthermore is involved in hydrogen bonds. The 2,4-dinitrophenyl moiety gives rise to pi-pi connected hydrophobic layers. The hydrophilic moiety of the anions, sodium cations and water molecules form a hydrophilic layer. The individual conformation of this N-substituted pamidronate anion is a compromise between its geometric limitations and the intermolecular interactions with sodium and the water molecules.

引用

页码：215 / 220

页数：6