Crystal structures and Hirshfeld surface analysis of trans-bis(thiocyanato-?N)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-?2 N,N?}manganese(II) and trans-bis(thiocyanato-?N)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-? 2 N,N?}nickel(II)).
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ABSTRACT: Two new mononuclear metal complexes involving the bidentate Schiff base ligand 2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]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 molecule, i.e. one metal(II) cation, one PM-TMA ligand, and one N-bound thiocyanate anion. In both complexes, the metal(II) cation is located on a centre of inversion and adopts a distorted octahedral 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 trimethylbenzene 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??, and ?–? interactions. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to quantify these intermolecular 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)].
SUBMITTER: Jittirattanakun S
PROVIDER: S-EPMC7001816 | biostudies-literature | 2020 Feb
REPOSITORIES: biostudies-literature
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