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Weak C-H···Cl-Pd interactions toward conformational polymorphism in trans-dichloridobis(triphenylphosphane)palladium(II).

作者信息

Corrêa Rodrigo S, Graminha Angélica E, Ellena Javier, Batista Alzir A

机构信息

Departamento de Química, Universidade Federal de São Carlos-UFSCar, Rodovia Washington Luiz, KM 235 CP 676, CEP 13561-901, São Carlos-SP, Brazil.

出版信息

Acta Crystallogr C. 2011 Sep;67(Pt 9):m304-6. doi: 10.1107/S0108270111033051. Epub 2011 Aug 26.

DOI:10.1107/S0108270111033051
PMID:21881177
Abstract

A new triclinic polymorph of the title compound, [PdCl(2)(C(18)H(15)P)(2)], has two independent molecules in the unit cell, with the Pd atoms located on inversion centres. One molecule has an eclipsed conformation, whereas the second molecule adopts a gauche conformation. The molecules with a gauche conformation are involved in weak intermolecular C-H···Cl-Pd interactions with symmetry-related molecules. It is suggested that C-H···Cl-Pd interactions are mainly responsible for the existence of conformational differences, which contribute to the polymorph formation. In the crystal, there are layers of eclipsed and gauche molecules separated by normal van der Waals interactions.

摘要

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