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(Z)-3-Ferrocenyl-2-(3-pyridyl)acrylonitrile
The molecular structure of the title compound, [Fe(C(5)H(5))(C(13)H(9)N(2))], (I), is analogous to that of the compound (Z)-3-ferrocenyl-2-phenylacrylonitrile [Cao & Ye (2008). Acta Cryst. E64, m822], (II), with the pyridine ring in (I) replacing the benzene ring in (II). While the correspondi...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960549/ https://www.ncbi.nlm.nih.gov/pubmed/21201613 http://dx.doi.org/10.1107/S1600536808025531 |
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author | Chen, Fang Ye, Heng-Yun |
author_facet | Chen, Fang Ye, Heng-Yun |
author_sort | Chen, Fang |
collection | PubMed |
description | The molecular structure of the title compound, [Fe(C(5)H(5))(C(13)H(9)N(2))], (I), is analogous to that of the compound (Z)-3-ferrocenyl-2-phenylacrylonitrile [Cao & Ye (2008). Acta Cryst. E64, m822], (II), with the pyridine ring in (I) replacing the benzene ring in (II). While the corresponding bond distances and angles in the two compounds show no significant differences, the two dihedral angles between the planes through the acrylonitrile group and the two rings attached to it (substituted Cp and pyridine) of 16.8 (4) and 20.1 (4)° in (I) are different from the corresponding dihedral angles [19.6 (3) and 6.5 (4)°] in (II). The unsubstituted ring is disordered over two positions, with site-occupancy factors of 0.70 (1) and 0.30 (1). The major and minor components of the disordered ring are almost coplanar and are also parallel to the substituted cyclopentadiene ring plane, with a dihedral angle of 0.3 (6)°. |
format | Text |
id | pubmed-2960549 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29605492010-12-30 (Z)-3-Ferrocenyl-2-(3-pyridyl)acrylonitrile Chen, Fang Ye, Heng-Yun Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The molecular structure of the title compound, [Fe(C(5)H(5))(C(13)H(9)N(2))], (I), is analogous to that of the compound (Z)-3-ferrocenyl-2-phenylacrylonitrile [Cao & Ye (2008). Acta Cryst. E64, m822], (II), with the pyridine ring in (I) replacing the benzene ring in (II). While the corresponding bond distances and angles in the two compounds show no significant differences, the two dihedral angles between the planes through the acrylonitrile group and the two rings attached to it (substituted Cp and pyridine) of 16.8 (4) and 20.1 (4)° in (I) are different from the corresponding dihedral angles [19.6 (3) and 6.5 (4)°] in (II). The unsubstituted ring is disordered over two positions, with site-occupancy factors of 0.70 (1) and 0.30 (1). The major and minor components of the disordered ring are almost coplanar and are also parallel to the substituted cyclopentadiene ring plane, with a dihedral angle of 0.3 (6)°. International Union of Crystallography 2008-08-16 /pmc/articles/PMC2960549/ /pubmed/21201613 http://dx.doi.org/10.1107/S1600536808025531 Text en © Chen and Ye 2008 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 Chen, Fang Ye, Heng-Yun (Z)-3-Ferrocenyl-2-(3-pyridyl)acrylonitrile |
title | (Z)-3-Ferrocenyl-2-(3-pyridyl)acrylonitrile |
title_full | (Z)-3-Ferrocenyl-2-(3-pyridyl)acrylonitrile |
title_fullStr | (Z)-3-Ferrocenyl-2-(3-pyridyl)acrylonitrile |
title_full_unstemmed | (Z)-3-Ferrocenyl-2-(3-pyridyl)acrylonitrile |
title_short | (Z)-3-Ferrocenyl-2-(3-pyridyl)acrylonitrile |
title_sort | (z)-3-ferrocenyl-2-(3-pyridyl)acrylonitrile |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960549/ https://www.ncbi.nlm.nih.gov/pubmed/21201613 http://dx.doi.org/10.1107/S1600536808025531 |
work_keys_str_mv | AT chenfang z3ferrocenyl23pyridylacrylonitrile AT yehengyun z3ferrocenyl23pyridylacrylonitrile |