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Crystal structure of bis­{(S)-1-[2-(di­phenyl­phosphan­yl)ferrocen­yl]-(R)-eth­yl}ammonium bromide di­chloro­methane monosolvate

During the synthesis of an FeBr(2) complex with the PNP ligand (R,R,S (Fc),S (Fc))-[Fe(2)(C(5)H(5))(2)(C(38)H(35)NP(2))] (1), single crystals of the di­chloro­methane monosolvate of the Br(−) salt of the protonated ligand 1H(+) were obtained serendipitously, i.e. [Fe(2)(C(5)H(5))(2)(C(38)H(36)NP(2))...

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Autores principales: Zirakzadeh, Afrooz, Stöger, Berthold, Kirchner, Karl
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5290554/
https://www.ncbi.nlm.nih.gov/pubmed/28217331
http://dx.doi.org/10.1107/S2056989016020417
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author Zirakzadeh, Afrooz
Stöger, Berthold
Kirchner, Karl
author_facet Zirakzadeh, Afrooz
Stöger, Berthold
Kirchner, Karl
author_sort Zirakzadeh, Afrooz
collection PubMed
description During the synthesis of an FeBr(2) complex with the PNP ligand (R,R,S (Fc),S (Fc))-[Fe(2)(C(5)H(5))(2)(C(38)H(35)NP(2))] (1), single crystals of the di­chloro­methane monosolvate of the Br(−) salt of the protonated ligand 1H(+) were obtained serendipitously, i.e. [Fe(2)(C(5)H(5))(2)(C(38)H(36)NP(2))]Br·CH(2)Cl(2). The crystal structure of 1H·Br·CH(2)Cl(2) was determined by single-crystal X-ray diffraction. The mean bond lengths in the ferrocene units are Fe—C = 2.049 (3) Å and C—C = 1.422 (4) Å within the cyclo­penta­dienyl rings. The mean C—N bond length is 1.523 (4) Å. The inter­planar angle between the two connected cyclo­penta­dienyl rings is 49.2 (2)°. One ferrocene moiety adopts a staggered conformation, whereas the other is between staggered and eclipsed. The Br(−) ions and the CH(2)Cl(2) mol­ecules are located in channels extending along <100>. One ammonium H atom forms a hydrogen bond with the Br(−) ion [H⋯Br = 2.32 (4) Å and C—H⋯Br = 172 (3)°]. The second ammonium H atom is not involved in hydrogen bonding.
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spelling pubmed-52905542017-02-17 Crystal structure of bis­{(S)-1-[2-(di­phenyl­phosphan­yl)ferrocen­yl]-(R)-eth­yl}ammonium bromide di­chloro­methane monosolvate Zirakzadeh, Afrooz Stöger, Berthold Kirchner, Karl Acta Crystallogr E Crystallogr Commun Research Communications During the synthesis of an FeBr(2) complex with the PNP ligand (R,R,S (Fc),S (Fc))-[Fe(2)(C(5)H(5))(2)(C(38)H(35)NP(2))] (1), single crystals of the di­chloro­methane monosolvate of the Br(−) salt of the protonated ligand 1H(+) were obtained serendipitously, i.e. [Fe(2)(C(5)H(5))(2)(C(38)H(36)NP(2))]Br·CH(2)Cl(2). The crystal structure of 1H·Br·CH(2)Cl(2) was determined by single-crystal X-ray diffraction. The mean bond lengths in the ferrocene units are Fe—C = 2.049 (3) Å and C—C = 1.422 (4) Å within the cyclo­penta­dienyl rings. The mean C—N bond length is 1.523 (4) Å. The inter­planar angle between the two connected cyclo­penta­dienyl rings is 49.2 (2)°. One ferrocene moiety adopts a staggered conformation, whereas the other is between staggered and eclipsed. The Br(−) ions and the CH(2)Cl(2) mol­ecules are located in channels extending along <100>. One ammonium H atom forms a hydrogen bond with the Br(−) ion [H⋯Br = 2.32 (4) Å and C—H⋯Br = 172 (3)°]. The second ammonium H atom is not involved in hydrogen bonding. International Union of Crystallography 2017-01-13 /pmc/articles/PMC5290554/ /pubmed/28217331 http://dx.doi.org/10.1107/S2056989016020417 Text en © Zirakzadeh et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/
spellingShingle Research Communications
Zirakzadeh, Afrooz
Stöger, Berthold
Kirchner, Karl
Crystal structure of bis­{(S)-1-[2-(di­phenyl­phosphan­yl)ferrocen­yl]-(R)-eth­yl}ammonium bromide di­chloro­methane monosolvate
title Crystal structure of bis­{(S)-1-[2-(di­phenyl­phosphan­yl)ferrocen­yl]-(R)-eth­yl}ammonium bromide di­chloro­methane monosolvate
title_full Crystal structure of bis­{(S)-1-[2-(di­phenyl­phosphan­yl)ferrocen­yl]-(R)-eth­yl}ammonium bromide di­chloro­methane monosolvate
title_fullStr Crystal structure of bis­{(S)-1-[2-(di­phenyl­phosphan­yl)ferrocen­yl]-(R)-eth­yl}ammonium bromide di­chloro­methane monosolvate
title_full_unstemmed Crystal structure of bis­{(S)-1-[2-(di­phenyl­phosphan­yl)ferrocen­yl]-(R)-eth­yl}ammonium bromide di­chloro­methane monosolvate
title_short Crystal structure of bis­{(S)-1-[2-(di­phenyl­phosphan­yl)ferrocen­yl]-(R)-eth­yl}ammonium bromide di­chloro­methane monosolvate
title_sort crystal structure of bis­{(s)-1-[2-(di­phenyl­phosphan­yl)ferrocen­yl]-(r)-eth­yl}ammonium bromide di­chloro­methane monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5290554/
https://www.ncbi.nlm.nih.gov/pubmed/28217331
http://dx.doi.org/10.1107/S2056989016020417
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