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Crystal structures of a manganese(I) and a rhenium(I) complex of a bipyridine ligand with a non-coordinating benzoic acid moiety

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Title: Crystal structures of a manganese(I) and a rhenium(I) complex of a bipyridine ligand with a non-coordinating benzoic acid moiety
Authors: Sheri Lense, Ilia A. Guzei, Jessica Andersen, Kong Choua Thao
Source: Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 5, Pp 731-736 (2018)
Publisher Information: International Union of Crystallography, 2018.
Publication Year: 2018
Collection: LCC:Crystallography
Subject Terms: crystal structure, manganese complex, rhenium complex, bipyridyl ligand, benzoic acid substituent, disorder, hydrogen bonding, Crystallography, QD901-999
More Details: The structures of two facially coordinated Group VII metal complexes are reported, namely: fac-bromido[2-(2,2′-bipyridin-6-yl)benzoic acid-κ2N,N′]tricarbonylmanganese(I) tetrahydrofuran monosolvate, [MnBr(C17H12N2O2)(CO)3]·C4H8O, I, and fac-[2-(2,2′-bipyridin-6-yl)benzoic acid-κ2N,N′]tricarbonylchloridorhenium(I) tetrahydrofuran monosolvate, [ReCl(C17H12N2O2)(CO)3]·C4H8O, II. In both complexes, the metal ion is coordinated by three carbonyl ligands, a halide ion, and a 2-(2,2′-bipyridin-6-yl)benzoic acid ligand, in a distorted octahedral geometry. In manganese complex I, the tetrahydrofuran (THF) solvent molecule could not be refined due to disorder. The benzoic acid fragment is also disordered over two positions, such that the carboxylic acid group is either positioned near to the bromide ligand or to the axial carbonyl ligand. In the crystal of I, the complex molecules are linked by a pair of C—H...Br hydrogen bonds, forming inversion dimers that stack up the a-axis direction. In the rhenium complex II, there is hydrogen bonding between the benzoic acid moiety and a disordered co-crystallized THF molecule. In the crystal, the molecules are linked by C—H...Cl hydrogen bonds, forming layers parallel to (100) separated by layers of THF solvent molecules.
Document Type: article
File Description: electronic resource
Language: English
ISSN: 2056-9890
20569890
Relation: http://scripts.iucr.org/cgi-bin/paper?S2056989018006047; https://doaj.org/toc/2056-9890
DOI: 10.1107/S2056989018006047
Access URL: https://doaj.org/article/096f4427a0e7487e812c088c372a8e0c
Accession Number: edsdoj.096f4427a0e7487e812c088c372a8e0c
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  Data: Crystal structures of a manganese(I) and a rhenium(I) complex of a bipyridine ligand with a non-coordinating benzoic acid moiety
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  Data: <searchLink fieldCode="AR" term="%22Sheri+Lense%22">Sheri Lense</searchLink><br /><searchLink fieldCode="AR" term="%22Ilia+A%2E+Guzei%22">Ilia A. Guzei</searchLink><br /><searchLink fieldCode="AR" term="%22Jessica+Andersen%22">Jessica Andersen</searchLink><br /><searchLink fieldCode="AR" term="%22Kong+Choua+Thao%22">Kong Choua Thao</searchLink>
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  Data: Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 5, Pp 731-736 (2018)
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  Data: International Union of Crystallography, 2018.
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  Data: The structures of two facially coordinated Group VII metal complexes are reported, namely: fac-bromido[2-(2,2′-bipyridin-6-yl)benzoic acid-κ2N,N′]tricarbonylmanganese(I) tetrahydrofuran monosolvate, [MnBr(C17H12N2O2)(CO)3]·C4H8O, I, and fac-[2-(2,2′-bipyridin-6-yl)benzoic acid-κ2N,N′]tricarbonylchloridorhenium(I) tetrahydrofuran monosolvate, [ReCl(C17H12N2O2)(CO)3]·C4H8O, II. In both complexes, the metal ion is coordinated by three carbonyl ligands, a halide ion, and a 2-(2,2′-bipyridin-6-yl)benzoic acid ligand, in a distorted octahedral geometry. In manganese complex I, the tetrahydrofuran (THF) solvent molecule could not be refined due to disorder. The benzoic acid fragment is also disordered over two positions, such that the carboxylic acid group is either positioned near to the bromide ligand or to the axial carbonyl ligand. In the crystal of I, the complex molecules are linked by a pair of C—H...Br hydrogen bonds, forming inversion dimers that stack up the a-axis direction. In the rhenium complex II, there is hydrogen bonding between the benzoic acid moiety and a disordered co-crystallized THF molecule. In the crystal, the molecules are linked by C—H...Cl hydrogen bonds, forming layers parallel to (100) separated by layers of THF solvent molecules.
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        Value: 10.1107/S2056989018006047
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        PageCount: 6
        StartPage: 731
    Subjects:
      – SubjectFull: crystal structure
        Type: general
      – SubjectFull: manganese complex
        Type: general
      – SubjectFull: rhenium complex
        Type: general
      – SubjectFull: bipyridyl ligand
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      – SubjectFull: benzoic acid substituent
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      – SubjectFull: disorder
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      – SubjectFull: hydrogen bonding
        Type: general
      – SubjectFull: Crystallography
        Type: general
      – SubjectFull: QD901-999
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      – TitleFull: Crystal structures of a manganese(I) and a rhenium(I) complex of a bipyridine ligand with a non-coordinating benzoic acid moiety
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            NameFull: Sheri Lense
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            NameFull: Ilia A. Guzei
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