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(异氰基苄基-κC(1))氯(2-氯-3-二甲基氨基-1-苯基丙-1-烯-1-基-κ(2)C(1),N)钯(II)

(Benzyl isocyanide-κC (1))chlorido(2-chloro-3-dimethyl-amino-1-phenyl-prop-1-en-1-yl-κ(2) C (1),N)palladium(II).

作者信息

Mafud Ana C, Oliviera Milene A R, Gambardella Maria T P

机构信息

Instituto de Fisica de Sao Carlos, Av. do Trabalhador Saocarlense, 400, Sao Carlos, SP, Brazil.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):m36. doi: 10.1107/S1600536812049768. Epub 2012 Dec 8.

DOI:10.1107/S1600536812049768
PMID:23476333
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3588341/
Abstract

In the title compound, [Pd(C11H13ClN)Cl(C8H7N)], which crystallized in the chiral space group P212121, the Pd(II) atom is coordinated by two C atoms, a Csp(2) atom of the 2-chloro-3-dimethyl-amino-1-phenyl-prop-1-en-1-yl ligand and a Csp atom from the benzyl isocyanide ligand, as well as an N atom of the ligand and a Cl atom, in a square-planar geometry. In the complex, there is a short C-H⋯Cl hydrogen bond and a C-H⋯π inter-action. In the crystal, mol-ecules are linked via C-H⋯Cl hydrogen bonds, forming chains along the a-axis direction.

摘要

在标题化合物[Pd(C₁₁H₁₃ClN)Cl(C₈H₇N)]中,其在手性空间群P2₁2₁2₁中结晶,Pd(II)原子由两个C原子、2-氯-3-二甲基氨基-1-苯基丙-1-烯-1-基配体的一个Csp(2)原子、苄基异腈配体的一个Csp原子、配体的一个N原子和一个Cl原子以平面正方形几何构型配位。在该配合物中,存在一个短的C-H⋯Cl氢键和一个C-H⋯π相互作用。在晶体中,分子通过C-H⋯Cl氢键相连,沿a轴方向形成链状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26b2/3588341/e709b381fbb8/e-69-00m36-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26b2/3588341/e23d0107a3c5/e-69-00m36-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26b2/3588341/e709b381fbb8/e-69-00m36-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26b2/3588341/e23d0107a3c5/e-69-00m36-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26b2/3588341/e709b381fbb8/e-69-00m36-fig2.jpg

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本文引用的文献

1
μ-Azido-κ(2) N (1):N (1)-μ-chlorido-bis-[(2-chloro-3-dimethyl-amino-1-phenyl-prop-1-en-1-yl-κ(2) C (1),N)palladium(II)] chloro-form monosolvate.
Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):m15. doi: 10.1107/S1600536812047927. Epub 2012 Dec 8.
2
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.