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Crystal structures and Hirshfeld surface analysis of trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ(2) N,N′}manganese(II) and trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ (2) N,N′}nickel(II))
Two new mononuclear metal complexes involving the bidentate Schiff base ligand 2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline (C(15)H(16)N(2) 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 diff...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7001816/ https://www.ncbi.nlm.nih.gov/pubmed/32071764 http://dx.doi.org/10.1107/S2056989020000870 |
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author | Jittirattanakun, Siripak Theppitak, Chatphorn Wannarit, Nanthawat Rotsut, Bachari Chainok, Kittipong |
author_facet | Jittirattanakun, Siripak Theppitak, Chatphorn Wannarit, Nanthawat Rotsut, Bachari Chainok, Kittipong |
author_sort | Jittirattanakun, Siripak |
collection | PubMed |
description | Two new mononuclear metal complexes involving the bidentate Schiff base ligand 2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline (C(15)H(16)N(2) 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)]. |
format | Online Article Text |
id | pubmed-7001816 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-70018162020-02-18 Crystal structures and Hirshfeld surface analysis of trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ(2) N,N′}manganese(II) and trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ (2) N,N′}nickel(II)) Jittirattanakun, Siripak Theppitak, Chatphorn Wannarit, Nanthawat Rotsut, Bachari Chainok, Kittipong Acta Crystallogr E Crystallogr Commun Research Communications Two new mononuclear metal complexes involving the bidentate Schiff base ligand 2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline (C(15)H(16)N(2) 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)]. International Union of Crystallography 2020-01-31 /pmc/articles/PMC7001816/ /pubmed/32071764 http://dx.doi.org/10.1107/S2056989020000870 Text en © Jittirattanakun et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Jittirattanakun, Siripak Theppitak, Chatphorn Wannarit, Nanthawat Rotsut, Bachari Chainok, Kittipong Crystal structures and Hirshfeld surface analysis of trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ(2) N,N′}manganese(II) and trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ (2) N,N′}nickel(II)) |
title | Crystal structures and Hirshfeld surface analysis of trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ(2)
N,N′}manganese(II) and trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ
(2)
N,N′}nickel(II)) |
title_full | Crystal structures and Hirshfeld surface analysis of trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ(2)
N,N′}manganese(II) and trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ
(2)
N,N′}nickel(II)) |
title_fullStr | Crystal structures and Hirshfeld surface analysis of trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ(2)
N,N′}manganese(II) and trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ
(2)
N,N′}nickel(II)) |
title_full_unstemmed | Crystal structures and Hirshfeld surface analysis of trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ(2)
N,N′}manganese(II) and trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ
(2)
N,N′}nickel(II)) |
title_short | Crystal structures and Hirshfeld surface analysis of trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ(2)
N,N′}manganese(II) and trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ
(2)
N,N′}nickel(II)) |
title_sort | crystal structures and hirshfeld surface analysis of trans-bis(thiocyanato-κn)bis{2,4,6-trimethyl-n-[(pyridin-2-yl)methylidene]aniline-κ(2)
n,n′}manganese(ii) and trans-bis(thiocyanato-κn)bis{2,4,6-trimethyl-n-[(pyridin-2-yl)methylidene]aniline-κ
(2)
n,n′}nickel(ii)) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7001816/ https://www.ncbi.nlm.nih.gov/pubmed/32071764 http://dx.doi.org/10.1107/S2056989020000870 |
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