Title of article :
Crystal structures and Hirshfeld surface analysis of trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ2N,N′}manganese(II) and trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ2N,N′}nickel(II))
Author/Authors :
Jittirattanakun,Siripak Division of Chemistry - Faculty of Science and Technology - Thammasat University, Thailand , Theppitak, Chatphorn Division of Chemistry - Faculty of Science and Technology - Thammasat University, Thailand , Wannarit, Nanthawat Division of Chemistry - Faculty of Science and Technology - Thammasat University, Thailand , Rotsut, Bachari Wisetchaichan Tantiwittayapoom School - Wisetchaichan, Thailand , Chainok, Kittipong Materials and Textile Technology - Faculty of Science and Technology - Thammasat University, Khlong Luang, Thailand
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⋯π, and π–π 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)].
Keywords :
manganese(II) , nickel(II) , Hirshfeld surface analysis , weak intermolecular interactions , Schiff base
Journal title :
Acta Crystallographica Section E: Crystallographic Communications