Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Jiajaroen, Suwadee, Chainok, Kittipong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
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
_version_ 1783542504148172800
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
work_keys_str_mv AT jiajaroensuwadee crystalstructureofacadmiumsulfatecoordinationpolymerbasedonthe36bispyrimidin2yl14dihydro1245tetrazineligand
AT chainokkittipong crystalstructureofacadmiumsulfatecoordinationpolymerbasedonthe36bispyrimidin2yl14dihydro1245tetrazineligand