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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...

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Autores principales: Štěpnička, Petr, Císařová, Ivana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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)°.
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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
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