Crystal structure of a second polymorph of tricarbon­yl(N-methyl­pyridine-2-carboxamide-κ(2) N (1),O)(thio­cyanato-κN)rhenium(I)

A new polymorph of the title compound, [Re(NCS)(C(7)H(8)N(2)O)(CO)(3)], crystallizing in the space group P2(1)/n, has been obtained and structurally characterized by the experiment and DFT calculations. In this complex, the rhenium(I) cation is octa­hedrally coordinated by three carbonyl groups in a...

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Autor principal: Lyczko, Krzysztof
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050760/
https://www.ncbi.nlm.nih.gov/pubmed/27746925
http://dx.doi.org/10.1107/S205698901601389X
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author Lyczko, Krzysztof
author_facet Lyczko, Krzysztof
author_sort Lyczko, Krzysztof
collection PubMed
description A new polymorph of the title compound, [Re(NCS)(C(7)H(8)N(2)O)(CO)(3)], crystallizing in the space group P2(1)/n, has been obtained and structurally characterized by the experiment and DFT calculations. In this complex, the rhenium(I) cation is octa­hedrally coordinated by three carbonyl groups in a facial configuration, the N,O-bidentate N-methyl­pyridine-2-carboxamide ligand and the N-bonded thio­cyanate anion. Neighbouring mol­ecules are linked into a three-dimensional network by inter­molecular N—H⋯S and C—H⋯S inter­actions.
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spelling pubmed-50507602016-10-14 Crystal structure of a second polymorph of tricarbon­yl(N-methyl­pyridine-2-carboxamide-κ(2) N (1),O)(thio­cyanato-κN)rhenium(I) Lyczko, Krzysztof Acta Crystallogr E Crystallogr Commun Research Communications A new polymorph of the title compound, [Re(NCS)(C(7)H(8)N(2)O)(CO)(3)], crystallizing in the space group P2(1)/n, has been obtained and structurally characterized by the experiment and DFT calculations. In this complex, the rhenium(I) cation is octa­hedrally coordinated by three carbonyl groups in a facial configuration, the N,O-bidentate N-methyl­pyridine-2-carboxamide ligand and the N-bonded thio­cyanate anion. Neighbouring mol­ecules are linked into a three-dimensional network by inter­molecular N—H⋯S and C—H⋯S inter­actions. International Union of Crystallography 2016-09-05 /pmc/articles/PMC5050760/ /pubmed/27746925 http://dx.doi.org/10.1107/S205698901601389X Text en © Krzysztof Lyczko 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Lyczko, Krzysztof
Crystal structure of a second polymorph of tricarbon­yl(N-methyl­pyridine-2-carboxamide-κ(2) N (1),O)(thio­cyanato-κN)rhenium(I)
title Crystal structure of a second polymorph of tricarbon­yl(N-methyl­pyridine-2-carboxamide-κ(2) N (1),O)(thio­cyanato-κN)rhenium(I)
title_full Crystal structure of a second polymorph of tricarbon­yl(N-methyl­pyridine-2-carboxamide-κ(2) N (1),O)(thio­cyanato-κN)rhenium(I)
title_fullStr Crystal structure of a second polymorph of tricarbon­yl(N-methyl­pyridine-2-carboxamide-κ(2) N (1),O)(thio­cyanato-κN)rhenium(I)
title_full_unstemmed Crystal structure of a second polymorph of tricarbon­yl(N-methyl­pyridine-2-carboxamide-κ(2) N (1),O)(thio­cyanato-κN)rhenium(I)
title_short Crystal structure of a second polymorph of tricarbon­yl(N-methyl­pyridine-2-carboxamide-κ(2) N (1),O)(thio­cyanato-κN)rhenium(I)
title_sort crystal structure of a second polymorph of tricarbon­yl(n-methyl­pyridine-2-carboxamide-κ(2) n (1),o)(thio­cyanato-κn)rhenium(i)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050760/
https://www.ncbi.nlm.nih.gov/pubmed/27746925
http://dx.doi.org/10.1107/S205698901601389X
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