Crystal structure of poly[[di-μ2-aqua-aqua­sodium] 4-amino-3,5,6-tri­chloro­pyridine-2-carboxyl­ate trihydrate], the sodium salt of the herbicide picloram

Acta Crystallographica Section E: Crystallographic Communications

Smith, G.¹ 

[1] Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia

关键词: CRYSTAL STRUCTURE;    PICLORAM;    TORDON;    HERBICIDE;    SODIUM SALT;    COORDINATION POLYMER;    SODIUM-WATER CATIONIC CHAIN;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015012633

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the structure of the title complex, {[Na(H2O)3](C6H2Cl3N2O2)·3H2O}n, the sodium salt of the herbicide picloram, the cation adopts a polymeric chain structure, based on μ2-aqua-bridged NaO5 trigonal–bipyramidal complex units which have, in addition, a singly bonded water mol­ecule. Each of the bridges within the chain, which extends parallel to the a axis, is centrosymmetric, with Na⋯Na separations of 3.4807 (16) and 3.5109 (16) Å. In the crystal, there are three water mol­ecules of solvation and these, as well as the coordinating water mol­ecules and the amino group of the 4-amino-3,5,6-tri­chloro­picolinate anion, are involved in extensive inter-species hydrogen-bonding inter­actions with carboxyl and water O atoms, as well as the pyridine N atom. Among these associations is a centrosymmetric cyclic tetra­water R44(8) motif, resulting in an overall three-dimensional structure.

【 授权许可】

CC BY