首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of polydi-μ2-aqua-aqua­sodium 4-amino-356-tri­chloro­pyridine-2-carboxyl­ate trihydrate the sodium salt of the herbicide picloram
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Crystal structure of polydi-μ2-aqua-aqua­sodium 4-amino-356-tri­chloro­pyridine-2-carboxyl­ate trihydrate the sodium salt of the herbicide picloram

机译:除草剂吡咯烷酸钠盐di-μ2-aqua-aqua-sodium 4-amino-356-tri­chloro­pyridine-2-羧酸­三水合物的晶体结构

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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 R 4 4(8) motif, resulting in an overall three-dimensional structure.
机译:在标题复合物{[Na(H2O)3](C6H2Cl3N2O2)·3H2O} n的结构中,除草剂苦味灵的钠盐,阳离子采用基于μ2-水桥连的NaO5三角结构的聚合物链结构,双锥体络合物单元,另外还具有单键水分子。链中平行于a轴延伸的每个桥都是中心对称的,Na⋯Na间距为3.4807(16)和3.5109(16)Å。在晶体中,存在三个溶剂化的水分子,并且这些配位的水分子和4-氨基-3,5,6-三氯吡啶甲酸阴离子的氨基与广泛的物种间氢键有关。与羧基和水的O原子以及吡啶的N原子相互作用。在这些关联中,有一个中心对称的环状四­水R 4 4 (8)图案,形成了整体三维结构。

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