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 Nov 6;69(Pt 12):m628. doi: 10.1107/S1600536813029395.
In the structure of the title complex, [Cs(C8H4Cl3O2)(H2O)] n , the caesium salt of the commercial herbicide fenac [(2,3,6-tri-chloro-phen-yl)acetic acid], the irregular eight-coordination about Cs(+) comprises a bidentate O:Cl-chelate inter-action involving a carboxyl-ate-O atom and an ortho-related ring-substituted Cl atom, which is also bridging, a triple-bridging carboxyl-ate-O atom and a bridging water mol-ecule. A two-dimensional polymer is generated, lying parallel to (100), within which there are water-carboxyl-ate O-H⋯O hy-dro-gen-bonding inter-actions.
在标题配合物[Cs(C₈H₄Cl₃O₂)(H₂O)]ₙ的结构中,即商业除草剂非那酸[(2,3,6 - 三氯苯基)乙酸]的铯盐,Cs⁺的不规则八配位包括一个双齿O:Cl螯合相互作用,涉及一个羧酸根 - O原子和一个邻位相关的环取代Cl原子(该Cl原子也是桥连的)、一个三桥连的羧酸根 - O原子和一个桥连水分子。生成了一个平行于(100)的二维聚合物,其中存在水 - 羧酸根O - H⋯O氢键相互作用。