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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >Hydrogen versus fluorine: effects on molecular structure and intermolecular interactions in a platinum isocyanate complex
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Hydrogen versus fluorine: effects on molecular structure and intermolecular interactions in a platinum isocyanate complex

机译:氢与氟:对铂异氰酸酯复合物中的分子结构和分子间相互作用的影响

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摘要

At the molecular level, the enantiomerically pure square-planar organoplatinum complex (SP-4-4) -(R)-[2-( 1 -aminoethyl)-5-fluorophenyl-K2C 1,N] [(R) -1-(4-fluoro-phenyl)ethylamine-/cAf](isocyanato-/cAf)platinum(II), [Pt(C8H9FN)(NCO)(C8-H10FN)], and its congener without fluorine substituents on the aryl rings adopt the same structure within error. The similarities between the compounds extend to the most relevant intermolecular interactions, i.e. N—H ? -O and N—H- ? N hydrogen bonds link neighbouring molecules into chains along the shortest lattice parameter in each structure. Differences between the crystal structures of the fluoro-substituted and parent complex become obvious with respect to secondary interactions perpendicular to the classical hydrogen bonds; the fluorinated compound features short C—H ? -F contacts with an F ? -H distance of ca 2.6 A. The fluorine substitution is also reflected in reduced backbonding from the metal cation to the isocyanate ligand.
机译:在分子水平下,对映体纯度平面平面有机铂络合物(SP-4-4) - (R) - [2-(1-甲基乙基)-5-氟苯基-K2C 1,N] [(r)-1- (4-氟 - 苯基)乙胺 - / CAF](异氰酸盐/ CAF)铂(II),[Pt(C8H9FN)(NCO)(C8-H10FN)]及其在芳基环上没有氟取代基的同型器采用 错误内的结构相同。 化合物之间的相似性延伸到最相关的分子间相互作用,即N-H? -o和n-h-? n氢键将相邻分子连接到每个结构中的最短晶格参数中的链接。 对于垂直于经典氢键的二次相互作用,氟取代和亲本复合物的晶体结构之间的差异变得明显; 氟化化合物特征短C-H? -f与f的联系人? -H距离Ca 2.6a。氟取代也反映在从金属阳离子到异氰酸酯配体的后磷酸盐中反映。

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