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Trans-Bis[1-(2-benzamido-eth-yl)-3-(2,4,6-trimethyl-phen-yl)imidazol-2-yl-idene]dichloridopalladium(II).

ABSTRACT: In the title compound, [PdCl(2)(C(21)H(23)N(3)O)(2)], the Pd(II) atom is located on an inversion centre and is coordinated in a slightly distorted square-planar environment by the chloride and N-heterocyclic carbene (NHC) ligands in mutual trans positions. There are several hydrogen-bonding inter-actions, the most significant of which is a hydrogen bond between the amide moiety of the NHC and the chloride ligand. These hydrogen-bond interactions form a three-dimensional network.

SUBMITTER: Warsink S

PROVIDER: S-EPMC3414134 | biostudies-other | 2012 Aug

REPOSITORIES: biostudies-other

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trans-Bis[1-(2-benzamido-eth-yl)-3-(2,4,6-trimethyl-phen-yl)imidazol-2-yl-idene]dichloridopalladium(II).

Warsink Stefan S Roodt Andreas A

Acta crystallographica. Section E, Structure reports online 20120718 Pt 8

In the title compound, [PdCl(2)(C(21)H(23)N(3)O)(2)], the Pd(II) atom is located on an inversion centre and is coordinated in a slightly distorted square-planar environment by the chloride and N-heterocyclic carbene (NHC) ligands in mutual trans positions. There are several hydrogen-bonding inter-actions, the most significant of which is a hydrogen bond between the amide moiety of the NHC and the chloride ligand. These hydrogen-bond interactions form a three-dimensional network. ...[more]

PMID: 22904741

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Bis[1,3-bis-(2,4,6-trimethyl-phen-yl)-2,3-dihydro-1H-imidazol-2-yl-idene]dinitros-yl(tetra-hydro-borato-?H,H')tungsten(0).

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Crystal structures and Hirshfeld surface analysis of trans-bis-(thio-cyanato-κN)bis-{2,4,6-trimethyl-N-[(pyridin-2-yl)methyl-idene]aniline-κ2 N,N'}manganese(II) and trans-bis-(thio-cyanato-κN)bis-{2,4,6-trimethyl-N-[(pyridin-2-yl)methyl-idene]aniline-κ 2 N,N'}nickel(II)).

Project description:Two new mononuclear metal complexes involving the bidentate Schiff base ligand 2,4,6-trimethyl-N-[(pyridin-2-yl)methyl-idene]aniline (C15H16N2 or PM-TMA), [Mn(NCS)2(PM-TMA)2] (I) and [Ni(NCS)2(PM-TMA)2] (II), were synthesized and their structures determined by single-crystal X-ray diffraction. Although the title compounds crystallize in different crystal systems [triclinic for (I) and monoclinic for (II)], both asymmetric units consist of one-half of the complex mol-ecule, i.e. one metal(II) cation, one PM-TMA ligand, and one N-bound thio-cyanate anion. In both complexes, the metal(II) cation is located on a centre of inversion and adopts a distorted octa-hedral coordination environment defined by four N atoms from two symmetry-related PM-TMA ligands in the equatorial plane and two N atoms from two symmetry-related NCS- anions in a trans axial arrangement. The tri-methyl-benzene and pyridine rings of the PM-TMA ligand are oriented at dihedral angles of 74.18 (7) and 77.70 (12)° for (I) and (II), respectively. The subtle change in size of the central metal cations leads to a different crystal packing arrangement for (I) and (II) that is dominated by weak C-H⋯S, C-H⋯π, and π-π inter-actions. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to qu-antify these inter-molecular contacts, and indicate that the most significant contacts in packing are H⋯H [48.1% for (I) and 54.9% for (II)], followed by H⋯C/C⋯H [24.1% for (I) and 15.7% for (II)], and H⋯S/S⋯H [21.1% for (I) and 21.1% for (II)].

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