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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))...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2017
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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. |
format | Online Article Text |
id | pubmed-5290554 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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