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Synthesis, Crystal Structure and Hirshfeld Surfaces of the N-(bis(benzylamino)phosphoryl)-4-Methylbenzenesulfonamide Polymeric tetrakis -Complex {Na[Yb( L ) 4 ( i PrOH )]} n
Journal of Chemical Crystallography ( IF 0.8 ) Pub Date : 2021-04-10 , DOI: 10.1007/s10870-021-00886-1
Angelina Y. Prytula‐Kurkunova , Olena O. Litsis , Victor A. Trush , Tatiana Y. Sliva , Paula Gawryszewska , Vladimir M. Amirkhanov

Lanthanide containing polymer chain of title compound {Na[Yb(L)4(iPrOH)]}n is formed by alternating complex anions and sodium cations. The anion is composed by four deprotonated bidentate chelate ligands of sulfonylamidophosphate type N-(bis(benzylamino)phosphoryl)-4-methylbenzenesulfonamide (L) coordinated to the Yb(III) ion via O atoms belonging to the sulfonyl and phosphoryl groups. The coordination polyhedron of the ytterbium has a slightly distorted triangular dodecahedron conformation, TDD-8, D2d. The Na+ cation is coordinated by four sulfonyl O atoms, the NaO4 polyhedra shape is intermediate between axially vacant trigonal bipyramid C3v and tetrahedron Td. Single-crystal X-ray diffraction studies show that one 2-propanol molecule is hydrogen-bonded to the sulphonyl oxygen of one of the chelate ligands. Also the extensive network of hydrogen bonding interactions between the aromatic rings both in the structural unit and between the polymer chains were detected. They were investigated by the analysis of Hirshfeld surfaces and fingerprint plots. The correlations between structure parameters obtained and the physico-chemical properties of the {Na[Yb(L)4(iPrOH)]}n were investigated.

Graphic Abstract

New tetrakis-complex {Na[Yb(L)4(iPrOH)]}n was synthesized and characterized by X-ray crystallography. Structural packaging characteristics were investigated by the analysis of Hirshfeld surfaces.



中文翻译:

N-(双(苄基氨基)磷酰基)-4-甲基苯磺酰胺聚合的四-络合物{Na [Yb(L)4(i PrOH)]} n的合成,晶体结构和Hirshfeld表面

标题化合物{Na [Yb(L4i PrOH)]} n的含镧系元素聚合物链是由复杂的阴离子和钠阳离子交替形成的。阴离子由通过4去质子化sulfonylamidophosphate型N-(双(苄基氨基)磷酰基)-4-甲基苯磺酰胺(的二齿螯合配体大号- )经由属于磺酰基和磷酰基氧原子配位到镱(III)离子。的配位多面体具有稍微扭曲的三角形十二面体构象,TDD-8,D 2d。Na +阳离子由四个磺酰基O原子(NaO 4)配位多面体形状在轴向空置的三角双锥C 3v和四面体T d之间。单晶X射线衍射研究表明,一个2-丙醇分子氢键合到一种螯合配体的磺酰氧上。还检测了结构单元中的芳环之间以及聚合物链之间的氢键相互作用的广泛网络。通过对Hirshfeld表面和指纹图的分析对它们进行了研究。研究了获得的结构参数与{Na [Yb(L4i PrOH)]} n的理化性质之间的相关性。

图形摘要

合成了新的四重配合物{Na [Yb(L4i PrOH)]} n并通过X射线晶体学对其进行了表征。通过Hirshfeld表面的分析研究了结构包装的特性。

更新日期:2021-04-11
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