Smith Graham
Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.
Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):m22-3. doi: 10.1107/S1600536812049562. Epub 2012 Dec 8.
In the structure of the title complex, [Cs(C6H2Cl3N2O2)(H2O)] n , the caesium salt of the commercial herbicide picloram, the Cs(+) cation lies on a crystallographic mirror plane, which also contains the coordinating water mol-ecule and all non-H atoms of the 4-amino-3,5,6-trichloro-picolinate anion except the carboxyl-ate O-atom donors. The irregular CsCl4O5 coordination polyhedron comprises chlorine donors from the ortho-related ring substituents of the picloramate ligand in a bidentate chelate mode, with a third chlorine bridging [Cs-Cl range 3.6052 (11)-3.7151 (11) Å] as well as a bidentate chelate carboxyl-ate group giving sheets extending parallel to (010). A three-dimensional coordination polymer structure is generated through the carboxyl-ate group, which also bridges the sheets down [010]. Within the structure, there are intra-unit water O-H⋯Ocarboxyl-ate and amine N-H⋯Npyridine hydrogen-bonding inter-actions.
在标题配合物[Cs(C6H2Cl3N2O2)(H2O)]n（即商业除草剂毒莠定的铯盐）的结构中，Cs(+)阳离子位于一个晶体学镜面平面上，该平面还包含配位水分子以及4-氨基-3,5,6-三氯吡啶甲酸根阴离子中除羧酸根O原子供体之外的所有非H原子。不规则的CsCl4O5配位多面体包括来自毒莠定配体邻位相关环取代基的氯供体，呈双齿螯合模式，第三个氯原子起桥连作用[Cs-Cl间距为3.6052 (11)-3.7151 (11) Å]，还有一个双齿螯合羧酸根基团，形成平行于(010)伸展的片层。通过羧酸根基团生成三维配位聚合物结构，该基团还沿[010]方向桥连这些片层。在结构内部，存在单元内水O-H⋯O羧酸根和胺N-H⋯N吡啶氢键相互作用。
