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Synthesis, crystal structure and Hirshfeld surface analysis of [bis-(di-phenyl-phosphan-yl)methane-κP]chloridobis-[2-(pyridin-2-yl)phenyl-κ2 N,C 1]iridium(III).


ABSTRACT: The title IrIII complex, [Ir(C11H8N)2Cl(C25H22P2)], was synthesized from the substitution reaction between the (ppy)2Ir(μ-Cl)2Ir(ppy)2 (ppy = deprotonated 2-phenyl-pyridine, C11H8N-) dimer and 1,1-bis-(di-phenyl-phosphan-yl)methane (dppm, C25H22P2) under an argon gas atmosphere for 20 h. The IrIII atom is coordinated by two C,N-bidentate ppy anions, a unidentate dppm ligand and a chloride anion in a distorted octa-hedral IrC2N2PCl arrangement. The N donor atoms of the ppy ligands are mutually trans while the C atoms are cis. Intra-molecular aromatic π-π stacking between the phenyl rings of ppy and dppm, and C-H⋯Cl inter-actions are observed. In the crystal, C-H⋯Cl and C-H⋯π contacts link the mol-ecules into a three-dimensional network. A Hirshfeld surface analysis was carried out to further qu-antify the inter-molecular inter-actions, and indicated that H⋯H contacts (63.9%) dominate the packing.

SUBMITTER: Klaimanee E 

PROVIDER: S-EPMC8061097 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature

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Synthesis, crystal structure and Hirshfeld surface analysis of [bis-(di-phenyl-phosphan-yl)methane-κ<i>P</i>]chloridobis-[2-(pyridin-2-yl)phenyl-κ<sup>2</sup> <i>N</i>,<i>C</i> <sup>1</sup>]iridium(III).

Klaimanee Ekkapong E   Sangwisut Peerapong P   Saithong Saowanit S   Leesakul Nararak N  

Acta crystallographica. Section E, Crystallographic communications 20210202 Pt 3


The title Ir<sup>III</sup> complex, [Ir(C<sub>11</sub>H<sub>8</sub>N)<sub>2</sub>Cl(C<sub>25</sub>H<sub>22</sub>P<sub>2</sub>)], was synthesized from the substitution reaction between the (ppy)<sub>2</sub>Ir(μ-Cl)<sub>2</sub>Ir(ppy)<sub>2</sub> (ppy = deprotonated 2-phenyl-pyridine, C<sub>11</sub>H<sub>8</sub>N<sup>-</sup>) dimer and 1,1-bis-(di-phenyl-phosphan-yl)methane (dppm, C<sub>25</sub>H<sub>22</sub>P<sub>2</sub>) under an argon gas atmosphere for 20 h. The Ir<sup>III</sup> atom is coordi  ...[more]

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