2019Acta Crystallographica Section E Crystallographic CommunicationsOpen access

Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate

K. B. Polyanskii, Kseniia A. Alekseeva, Pavel A. Kumandin, Zeliha Atioğlu, Mehmet Akkurt, Flavien A. A. Toze

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Abstract

The title compound, [RuCl2(C21H26N2)(C11H15N)], is an example of a new generation ofN,N-dialkyl metallocomplex ruthenium catalysts with an N→Ru coordination bond as part of a six-membered chelate ring. The Ru atom has an Addison τ parameter of 0.234, which indicates a geometry intermediate between square-based pyramidal and trigonal–bipyramidal. The complex shows the usualtransarrangement of the two chloride ligands, with Ru—Cl bond lengths of 2.3397 (8) and 2.3476 (8) Å, and a Cl—Ru— Cl angle of 157.47 (3)°. The crystal structure features C—H...Cl, C—H...π and π–π stacking interactions. The solvent molecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure inPLATON[Spek (2015).Acta Cryst.C71, 9–18], which indicated a solvent cavity of volume 1096 Å3containing approximately 419 electrons. These solvent molecules are not considered in the given chemical formula and other crystal data.

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The title compound, [RuCl2(C21H26N2)(C11H15N)], is an example of a new generation ofN,N-dialkyl metallocomplex ruthenium catalysts with an N→Ru coordination bond as part of a six-membered chelate ring. The Ru atom has an Addison τ parameter of 0.234, which indicates a geometry intermediate between square-based pyramidal and trigonal–bipyramidal. The complex shows the usualtransarrangement of the two chloride ligands, with Ru—Cl bond lengths of 2.3397 (8) and 2.3476 (8) Å, and a Cl—Ru— Cl angle of 157.47 (3)°. The crystal structure features C—H...Cl, C—H...π and π–π stacking interactions. The solvent molecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure inPLATON[Spek (2015).Acta Cryst.C71, 9–18], which indicated a solvent cavity of volume 1096 Å3containing approximately 419 electrons. These solvent molecules are not considered in the given chemical formula and other crystal data.

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Available abstract

The title compound, [RuCl2(C21H26N2)(C11H15N)], is an example of a new generation ofN,N-dialkyl metallocomplex ruthenium catalysts with an N→Ru coordination bond as part of a six-membered chelate ring. The Ru atom has an Addison τ parameter of 0.234, which indicates a geometry intermediate between square-based pyramidal and trigonal–bipyramidal. The complex shows the usualtransarrangement of the two chloride ligands, with Ru—Cl bond lengths of 2.3397 (8) and 2.3476 (8) Å, and a Cl—Ru— Cl angle of 157.47 (3)°. The crystal structure features C—H...Cl, C—H...π and π–π stacking interactions. The solvent molecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure inPLATON[Spek (2015).Acta Cryst.C71, 9–18], which indicated a solvent cavity of volume 1096 Å3containing approximately 419 electrons. These solvent molecules are not considered in the given chemical formula and other crystal data.

Key concepts: Chemistry, Ruthenium, Crystallography, Crystal structure, Molecule, Solvent, Crystal (programming language), Trigonal bipyramidal molecular geometry

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Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate — Research Paper | ScholarLens