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Crystal structure of a cadmium sulfate coordination polymer based on the 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine ligand
The polymeric title compound, poly[aquahemi[μ(2)-3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine](μ(3)-sulfato)cadmium(II)], [Cd(SO(4))(C(10)H(8)N(8))(0.5)(H(2)O)](n), (I), represents an example of a three-dimensional coordination polymer resulting from the reaction of CdSO(4)·8/3H(2)O wi...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2020
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7273994/ https://www.ncbi.nlm.nih.gov/pubmed/32523772 http://dx.doi.org/10.1107/S2056989020006830 |
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author | Jiajaroen, Suwadee Chainok, Kittipong |
author_facet | Jiajaroen, Suwadee Chainok, Kittipong |
author_sort | Jiajaroen, Suwadee |
collection | PubMed |
description | The polymeric title compound, poly[aquahemi[μ(2)-3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine](μ(3)-sulfato)cadmium(II)], [Cd(SO(4))(C(10)H(8)N(8))(0.5)(H(2)O)](n), (I), represents an example of a three-dimensional coordination polymer resulting from the reaction of CdSO(4)·8/3H(2)O with 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine (H(2)bmtz, C(10)H(8)N(8)) under hydrothermal conditions. The Cd(II) atom has a distorted octahedral coordination environment defined by two nitrogen atoms from one H(2)bmtz ligand, three oxygen atoms from three different sulfate anions, and one oxygen atom from a coordinating water molecule. The 1,4-dihydro-1,2,4,5-tetrazine ring of the H(2)bmtz ligand is located about an inversion center, with the NH group being equally disordered over two sites. The sulfate anion acts as a μ(3)-bridging ligand to connect three Cd(II) atoms, resulting in the formation of [Cd(SO(4))(H(2)O)] sheets propagating parallel to the bc plane. Adjacent sheets are interconnected across the H(2)bmtz ligands, which coordinate the Cd(II) atoms in a bis-bidentate coordination mode, to form a three-dimensional framework structure. The framework is further stabilized by classical O—H⋯O hydrogen bonds involving the coordinating water molecules and the sulfate groups, and by N—H⋯O hydrogen bonds between the disordered tetrazine NH groups and sulfate oxygen atom, along with C—H⋯π and π–π stacking [centroid-to-centroid separation = 3.5954 (15) Å] interactions between parallel pyrimidine rings of the H(2)bmtz ligand. |
format | Online Article Text |
id | pubmed-7273994 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-72739942020-06-09 Crystal structure of a cadmium sulfate coordination polymer based on the 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine ligand Jiajaroen, Suwadee Chainok, Kittipong Acta Crystallogr E Crystallogr Commun Research Communications The polymeric title compound, poly[aquahemi[μ(2)-3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine](μ(3)-sulfato)cadmium(II)], [Cd(SO(4))(C(10)H(8)N(8))(0.5)(H(2)O)](n), (I), represents an example of a three-dimensional coordination polymer resulting from the reaction of CdSO(4)·8/3H(2)O with 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine (H(2)bmtz, C(10)H(8)N(8)) under hydrothermal conditions. The Cd(II) atom has a distorted octahedral coordination environment defined by two nitrogen atoms from one H(2)bmtz ligand, three oxygen atoms from three different sulfate anions, and one oxygen atom from a coordinating water molecule. The 1,4-dihydro-1,2,4,5-tetrazine ring of the H(2)bmtz ligand is located about an inversion center, with the NH group being equally disordered over two sites. The sulfate anion acts as a μ(3)-bridging ligand to connect three Cd(II) atoms, resulting in the formation of [Cd(SO(4))(H(2)O)] sheets propagating parallel to the bc plane. Adjacent sheets are interconnected across the H(2)bmtz ligands, which coordinate the Cd(II) atoms in a bis-bidentate coordination mode, to form a three-dimensional framework structure. The framework is further stabilized by classical O—H⋯O hydrogen bonds involving the coordinating water molecules and the sulfate groups, and by N—H⋯O hydrogen bonds between the disordered tetrazine NH groups and sulfate oxygen atom, along with C—H⋯π and π–π stacking [centroid-to-centroid separation = 3.5954 (15) Å] interactions between parallel pyrimidine rings of the H(2)bmtz ligand. International Union of Crystallography 2020-05-29 /pmc/articles/PMC7273994/ /pubmed/32523772 http://dx.doi.org/10.1107/S2056989020006830 Text en © Jiajaroen and Chainok 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 Jiajaroen, Suwadee Chainok, Kittipong Crystal structure of a cadmium sulfate coordination polymer based on the 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine ligand |
title | Crystal structure of a cadmium sulfate coordination polymer based on the 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine ligand |
title_full | Crystal structure of a cadmium sulfate coordination polymer based on the 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine ligand |
title_fullStr | Crystal structure of a cadmium sulfate coordination polymer based on the 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine ligand |
title_full_unstemmed | Crystal structure of a cadmium sulfate coordination polymer based on the 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine ligand |
title_short | Crystal structure of a cadmium sulfate coordination polymer based on the 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine ligand |
title_sort | crystal structure of a cadmium sulfate coordination polymer based on the 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine ligand |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7273994/ https://www.ncbi.nlm.nih.gov/pubmed/32523772 http://dx.doi.org/10.1107/S2056989020006830 |
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