Cargando…

catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2) O:O-bis­(μ(2)-2,4,6-tri­nitro­phenolato-κ(4) O (2),O (1):O (1),O (6))]

The asymmetric unit of the title barium coordination polymer, [Ba(C(6)H(2)N(3)O(7))(2)(C(2)H(6)OS)]( n ), consists of a barium cation (site symmetry m) and a dimethyl sulfoxide (DMSO) ligand (point group symmetry m) and a 2,4,6-tri­nitro­phenolate anion located in general positions. The S atom and t...

Descripción completa

Detalles Bibliográficos
Autores principales: Srinivasan, Bikshandarkoil R., Parsekar, Neha U., Narvekar, Kedar U.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462151/
https://www.ncbi.nlm.nih.gov/pubmed/36340015
http://dx.doi.org/10.1107/S2414314620014984
_version_ 1784787116411060224
author Srinivasan, Bikshandarkoil R.
Parsekar, Neha U.
Narvekar, Kedar U.
author_facet Srinivasan, Bikshandarkoil R.
Parsekar, Neha U.
Narvekar, Kedar U.
author_sort Srinivasan, Bikshandarkoil R.
collection PubMed
description The asymmetric unit of the title barium coordination polymer, [Ba(C(6)H(2)N(3)O(7))(2)(C(2)H(6)OS)]( n ), consists of a barium cation (site symmetry m) and a dimethyl sulfoxide (DMSO) ligand (point group symmetry m) and a 2,4,6-tri­nitro­phenolate anion located in general positions. The S atom and the methyl group of DMSO are disordered over two sets of sites. The DMSO ligand bridges a pair of Ba(II) atoms resulting in a chain extending parallel to the a axis. The unique 2,4,6-tri­nitro­phenolate anion also bridges a pair of Ba(II) ions via the phenolic oxygen atom, with each Ba(II) being additionally bonded to an oxygen atom of an adjacent nitro group. The μ (2)-monoatomic bridging binding mode of both types of ligands results in the formation of an infinite chain of face-sharing {BaO(10)} polyhedra flanked by the remaining parts of the 2,4,6-tri­nitro­phenolato and DMSO ligands. In the one-dimensional coordination polymer, parallel chains are inter­linked with the aid of C—H⋯O hydrogen bonds. [Image: see text]
format Online
Article
Text
id pubmed-9462151
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-94621512022-11-04 catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2) O:O-bis­(μ(2)-2,4,6-tri­nitro­phenolato-κ(4) O (2),O (1):O (1),O (6))] Srinivasan, Bikshandarkoil R. Parsekar, Neha U. Narvekar, Kedar U. IUCrdata Data Reports The asymmetric unit of the title barium coordination polymer, [Ba(C(6)H(2)N(3)O(7))(2)(C(2)H(6)OS)]( n ), consists of a barium cation (site symmetry m) and a dimethyl sulfoxide (DMSO) ligand (point group symmetry m) and a 2,4,6-tri­nitro­phenolate anion located in general positions. The S atom and the methyl group of DMSO are disordered over two sets of sites. The DMSO ligand bridges a pair of Ba(II) atoms resulting in a chain extending parallel to the a axis. The unique 2,4,6-tri­nitro­phenolate anion also bridges a pair of Ba(II) ions via the phenolic oxygen atom, with each Ba(II) being additionally bonded to an oxygen atom of an adjacent nitro group. The μ (2)-monoatomic bridging binding mode of both types of ligands results in the formation of an infinite chain of face-sharing {BaO(10)} polyhedra flanked by the remaining parts of the 2,4,6-tri­nitro­phenolato and DMSO ligands. In the one-dimensional coordination polymer, parallel chains are inter­linked with the aid of C—H⋯O hydrogen bonds. [Image: see text] International Union of Crystallography 2020-11-13 /pmc/articles/PMC9462151/ /pubmed/36340015 http://dx.doi.org/10.1107/S2414314620014984 Text en © Srinivasan et al. 2020 https://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.
spellingShingle Data Reports
Srinivasan, Bikshandarkoil R.
Parsekar, Neha U.
Narvekar, Kedar U.
catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2) O:O-bis­(μ(2)-2,4,6-tri­nitro­phenolato-κ(4) O (2),O (1):O (1),O (6))]
title catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2) O:O-bis­(μ(2)-2,4,6-tri­nitro­phenolato-κ(4) O (2),O (1):O (1),O (6))]
title_full catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2) O:O-bis­(μ(2)-2,4,6-tri­nitro­phenolato-κ(4) O (2),O (1):O (1),O (6))]
title_fullStr catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2) O:O-bis­(μ(2)-2,4,6-tri­nitro­phenolato-κ(4) O (2),O (1):O (1),O (6))]
title_full_unstemmed catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2) O:O-bis­(μ(2)-2,4,6-tri­nitro­phenolato-κ(4) O (2),O (1):O (1),O (6))]
title_short catena-Poly[barium(II)-μ(2)-(dimethyl sulfoxide)-κ(2) O:O-bis­(μ(2)-2,4,6-tri­nitro­phenolato-κ(4) O (2),O (1):O (1),O (6))]
title_sort catena-poly[barium(ii)-μ(2)-(dimethyl sulfoxide)-κ(2) o:o-bis­(μ(2)-2,4,6-tri­nitro­phenolato-κ(4) o (2),o (1):o (1),o (6))]
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462151/
https://www.ncbi.nlm.nih.gov/pubmed/36340015
http://dx.doi.org/10.1107/S2414314620014984
work_keys_str_mv AT srinivasanbikshandarkoilr catenapolybariumiim2dimethylsulfoxidek2oobism2246trinitrophenolatok4o2o1o1o6
AT parsekarnehau catenapolybariumiim2dimethylsulfoxidek2oobism2246trinitrophenolatok4o2o1o1o6
AT narvekarkedaru catenapolybariumiim2dimethylsulfoxidek2oobism2246trinitrophenolatok4o2o1o1o6