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Isolation and structural comparison of Ru(II)-dnp complexes [dnp = 2,6-bis­(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands

The mol­ecular and crystal structures of two ruthenium(II) complexes, viz. cis-aqua­[2,6-bis­(1,8-naphthyridin-2-yl)pyridine-κ(3) N,N′,N′′](thio­cyanato-κN)(tri­phen­yl­phosphine-κP)ruthenium(II) hexa­fluorido­phosphate–acetone–water (1/0.5/1), [Ru(NCS)(C(21)H(13)N(5))(C(18)H(15)P)(H(2)O)]PF(6)·0.5C...

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Autores principales: Takase, Tsugiko, Yamanaka, Takashi, Tamura, Chihiro, Oyama, Dai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9431777/
https://www.ncbi.nlm.nih.gov/pubmed/36072152
http://dx.doi.org/10.1107/S2056989022004443
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author Takase, Tsugiko
Yamanaka, Takashi
Tamura, Chihiro
Oyama, Dai
author_facet Takase, Tsugiko
Yamanaka, Takashi
Tamura, Chihiro
Oyama, Dai
author_sort Takase, Tsugiko
collection PubMed
description The mol­ecular and crystal structures of two ruthenium(II) complexes, viz. cis-aqua­[2,6-bis­(1,8-naphthyridin-2-yl)pyridine-κ(3) N,N′,N′′](thio­cyanato-κN)(tri­phen­yl­phosphine-κP)ruthenium(II) hexa­fluorido­phosphate–acetone–water (1/0.5/1), [Ru(NCS)(C(21)H(13)N(5))(C(18)H(15)P)(H(2)O)]PF(6)·0.5C(3)H(6)O·H(2)O (I) and trans-[2,6-bis­(1,8-naphthyridin-2-yl)pyridine-κ(3)’N,N′,N′′]bis­(pyridine-κN)(thiocyanato-κN)ruthenium(II) thio­cyanate, [Ru(NCS)(C(21)H(13)N(5))(C(5)H(5)N)(2)]NCS (II), with an N-coordinating thio­cyanato group and a tridentate polypyridyl supporting ligand, are reported. The Ru(II) atom in each of the cationic complexes adopts a distorted octa­hedral coordination sphere, defined by an N atom of the thio­cyanato ligand, three N atoms from the tridentate polypyridyl ligand, and an O and P atom in (I) or two pyridine-N atoms in (II) derived from monodentate ligands. The thio­cyanato ligand in (I) coordinates in an axial manner to the {Ru-dnp} unit [dnp = 2,6-bis­(1,8-naphthyridin-2-yl)pyridine], whereas it coordinates in an equatorial manner in (II). In the crystal structure of compound (I), intra­molecular C—H⋯O, C—H⋯N and O—H⋯N hydrogen bonds as well as π–π contacts are present, in addition to inter­molecular C—H⋯F, C—H⋯O and O—H⋯O hydrogen bonds. In the crystal structure of compound (II), intra­molecular C—H⋯N hydrogen bonds are observed along with inter­molecular C—H⋯N and C—H⋯S hydrogen bonds as well as a π–π inter­action.
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spelling pubmed-94317772022-09-06 Isolation and structural comparison of Ru(II)-dnp complexes [dnp = 2,6-bis­(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands Takase, Tsugiko Yamanaka, Takashi Tamura, Chihiro Oyama, Dai Acta Crystallogr E Crystallogr Commun Research Communications The mol­ecular and crystal structures of two ruthenium(II) complexes, viz. cis-aqua­[2,6-bis­(1,8-naphthyridin-2-yl)pyridine-κ(3) N,N′,N′′](thio­cyanato-κN)(tri­phen­yl­phosphine-κP)ruthenium(II) hexa­fluorido­phosphate–acetone–water (1/0.5/1), [Ru(NCS)(C(21)H(13)N(5))(C(18)H(15)P)(H(2)O)]PF(6)·0.5C(3)H(6)O·H(2)O (I) and trans-[2,6-bis­(1,8-naphthyridin-2-yl)pyridine-κ(3)’N,N′,N′′]bis­(pyridine-κN)(thiocyanato-κN)ruthenium(II) thio­cyanate, [Ru(NCS)(C(21)H(13)N(5))(C(5)H(5)N)(2)]NCS (II), with an N-coordinating thio­cyanato group and a tridentate polypyridyl supporting ligand, are reported. The Ru(II) atom in each of the cationic complexes adopts a distorted octa­hedral coordination sphere, defined by an N atom of the thio­cyanato ligand, three N atoms from the tridentate polypyridyl ligand, and an O and P atom in (I) or two pyridine-N atoms in (II) derived from monodentate ligands. The thio­cyanato ligand in (I) coordinates in an axial manner to the {Ru-dnp} unit [dnp = 2,6-bis­(1,8-naphthyridin-2-yl)pyridine], whereas it coordinates in an equatorial manner in (II). In the crystal structure of compound (I), intra­molecular C—H⋯O, C—H⋯N and O—H⋯N hydrogen bonds as well as π–π contacts are present, in addition to inter­molecular C—H⋯F, C—H⋯O and O—H⋯O hydrogen bonds. In the crystal structure of compound (II), intra­molecular C—H⋯N hydrogen bonds are observed along with inter­molecular C—H⋯N and C—H⋯S hydrogen bonds as well as a π–π inter­action. International Union of Crystallography 2022-05-06 /pmc/articles/PMC9431777/ /pubmed/36072152 http://dx.doi.org/10.1107/S2056989022004443 Text en © Takase et al. 2022 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 Research Communications
Takase, Tsugiko
Yamanaka, Takashi
Tamura, Chihiro
Oyama, Dai
Isolation and structural comparison of Ru(II)-dnp complexes [dnp = 2,6-bis­(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands
title Isolation and structural comparison of Ru(II)-dnp complexes [dnp = 2,6-bis­(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands
title_full Isolation and structural comparison of Ru(II)-dnp complexes [dnp = 2,6-bis­(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands
title_fullStr Isolation and structural comparison of Ru(II)-dnp complexes [dnp = 2,6-bis­(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands
title_full_unstemmed Isolation and structural comparison of Ru(II)-dnp complexes [dnp = 2,6-bis­(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands
title_short Isolation and structural comparison of Ru(II)-dnp complexes [dnp = 2,6-bis­(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands
title_sort isolation and structural comparison of ru(ii)-dnp complexes [dnp = 2,6-bis­(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating ncs ligands
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9431777/
https://www.ncbi.nlm.nih.gov/pubmed/36072152
http://dx.doi.org/10.1107/S2056989022004443
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