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(R)-N-(Ferrocenylmethyl)-1-hydroxy-3-phenylpropan-2-aminium (E)-but-2-enoate
The crystal structure of the title salt, [Fe(C(5)H(5))(C(15)H(19)NO)](C(4)H(5)O(2)), consists of discrete ammonium and carboxylate ions, which associate into infinite chains parallel to [100] by means of N—H⋯O and O—H⋯O interactions. These chains are further cross-linked into a three-dimensional n...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247540/ https://www.ncbi.nlm.nih.gov/pubmed/22219845 http://dx.doi.org/10.1107/S1600536811044096 |
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author | Štěpnička, Petr Císařová, Ivana |
author_facet | Štěpnička, Petr Císařová, Ivana |
author_sort | Štěpnička, Petr |
collection | PubMed |
description | The crystal structure of the title salt, [Fe(C(5)H(5))(C(15)H(19)NO)](C(4)H(5)O(2)), consists of discrete ammonium and carboxylate ions, which associate into infinite chains parallel to [100] by means of N—H⋯O and O—H⋯O interactions. These chains are further cross-linked into a three-dimensional network by additional C—H⋯O contacts and by offset π–π stacking interactions of inversion-related aromatic rings [centroid–centroid distance = 3.7040 (14) Å]. The molecular parameters of the ionic components are in no way unexpected, the geometry of the ammonium cation being similar to that found in other structurally characterized salts obtained from N-ferrocenylmethyl β-aminoalcohols. The (E)-but-2-enoate anion consists of two approximately planar subunits, viz the delocalized carboxylate unit and the butenyl group (the latter being planar within ca. 0.002 Å), which are mutually rotated by 30.3 (4)°. |
format | Online Article Text |
id | pubmed-3247540 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32475402012-01-04 (R)-N-(Ferrocenylmethyl)-1-hydroxy-3-phenylpropan-2-aminium (E)-but-2-enoate Štěpnička, Petr Císařová, Ivana Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The crystal structure of the title salt, [Fe(C(5)H(5))(C(15)H(19)NO)](C(4)H(5)O(2)), consists of discrete ammonium and carboxylate ions, which associate into infinite chains parallel to [100] by means of N—H⋯O and O—H⋯O interactions. These chains are further cross-linked into a three-dimensional network by additional C—H⋯O contacts and by offset π–π stacking interactions of inversion-related aromatic rings [centroid–centroid distance = 3.7040 (14) Å]. The molecular parameters of the ionic components are in no way unexpected, the geometry of the ammonium cation being similar to that found in other structurally characterized salts obtained from N-ferrocenylmethyl β-aminoalcohols. The (E)-but-2-enoate anion consists of two approximately planar subunits, viz the delocalized carboxylate unit and the butenyl group (the latter being planar within ca. 0.002 Å), which are mutually rotated by 30.3 (4)°. International Union of Crystallography 2011-10-29 /pmc/articles/PMC3247540/ /pubmed/22219845 http://dx.doi.org/10.1107/S1600536811044096 Text en © Štěpnička and Císařová 2011 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 | Metal-Organic Papers Štěpnička, Petr Císařová, Ivana (R)-N-(Ferrocenylmethyl)-1-hydroxy-3-phenylpropan-2-aminium (E)-but-2-enoate |
title | (R)-N-(Ferrocenylmethyl)-1-hydroxy-3-phenylpropan-2-aminium (E)-but-2-enoate |
title_full | (R)-N-(Ferrocenylmethyl)-1-hydroxy-3-phenylpropan-2-aminium (E)-but-2-enoate |
title_fullStr | (R)-N-(Ferrocenylmethyl)-1-hydroxy-3-phenylpropan-2-aminium (E)-but-2-enoate |
title_full_unstemmed | (R)-N-(Ferrocenylmethyl)-1-hydroxy-3-phenylpropan-2-aminium (E)-but-2-enoate |
title_short | (R)-N-(Ferrocenylmethyl)-1-hydroxy-3-phenylpropan-2-aminium (E)-but-2-enoate |
title_sort | (r)-n-(ferrocenylmethyl)-1-hydroxy-3-phenylpropan-2-aminium (e)-but-2-enoate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247540/ https://www.ncbi.nlm.nih.gov/pubmed/22219845 http://dx.doi.org/10.1107/S1600536811044096 |
work_keys_str_mv | AT stepnickapetr rnferrocenylmethyl1hydroxy3phenylpropan2aminiumebut2enoate AT cisarovaivana rnferrocenylmethyl1hydroxy3phenylpropan2aminiumebut2enoate |