(Z)-3-Ferrocenyl-2-(3-pyridyl)acrylonitrile

The molecular structure of the title compound, [Fe(C5H5)(C13H9N2)], (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...

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Main Authors: Heng-Yun Ye, Fang Chen
Format: Article
Language:English
Published: International Union of Crystallography 2008-09-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536808025531
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spelling doaj-90e88df94e084e28b5c72ad2a552591e2020-11-25T02:14:20ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-09-01649m1165m116510.1107/S1600536808025531(Z)-3-Ferrocenyl-2-(3-pyridyl)acrylonitrileHeng-Yun YeFang ChenThe molecular structure of the title compound, [Fe(C5H5)(C13H9N2)], (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)°.http://scripts.iucr.org/cgi-bin/paper?S1600536808025531
collection DOAJ
language English
format Article
sources DOAJ
author Heng-Yun Ye
Fang Chen
spellingShingle Heng-Yun Ye
Fang Chen
(Z)-3-Ferrocenyl-2-(3-pyridyl)acrylonitrile
Acta Crystallographica Section E
author_facet Heng-Yun Ye
Fang Chen
author_sort Heng-Yun Ye
title (Z)-3-Ferrocenyl-2-(3-pyridyl)acrylonitrile
title_short (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_sort (z)-3-ferrocenyl-2-(3-pyridyl)acrylonitrile
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2008-09-01
description The molecular structure of the title compound, [Fe(C5H5)(C13H9N2)], (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)°.
url http://scripts.iucr.org/cgi-bin/paper?S1600536808025531
work_keys_str_mv AT hengyunye z3ferrocenyl23pyridylacrylonitrile
AT fangchen z3ferrocenyl23pyridylacrylonitrile
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