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(2-Bromoacetyl)ferrocene

In the title molecule, [Fe(C5H5)(C7H6BrO)], the C atoms of the substituted ring have disparate Fe-C bond lengths compared with the unsubstituted ring. In the bromoacetyl residue, the Br and O atoms are co-planar [the O-C-C-Br torsion angle is 5.7 (4)degrees] and are syn to each other. Helical supram...

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Main Authors: Wu, Xiang-Xiang, Zhu, Xin, Ma, Qiu-Juan, Ng, S.W., Tiekink, E.R.T.
Format: Article
Published: International Union of Crystallography 2011
Subjects:
QC Physics
Online Access:http://eprints.um.edu.my/14628/
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spelling my.um.eprints.146282019-01-30T08:28:44Z http://eprints.um.edu.my/14628/ (2-Bromoacetyl)ferrocene Wu, Xiang-Xiang Zhu, Xin Ma, Qiu-Juan Ng, S.W. Tiekink, E.R.T. QC Physics In the title molecule, [Fe(C5H5)(C7H6BrO)], the C atoms of the substituted ring have disparate Fe-C bond lengths compared with the unsubstituted ring. In the bromoacetyl residue, the Br and O atoms are co-planar [the O-C-C-Br torsion angle is 5.7 (4)degrees] and are syn to each other. Helical supramolecular chains along the b axis are formed in the crystal structure mediated by C-H center dot center dot center dot O contacts; the carbonyl-O atom is bifurcated. The chains are linked into layers by C-H center dot center dot center dot pi (unsubstituted ring) interactions that stack along the a-axis direction. International Union of Crystallography 2011 Article PeerReviewed Wu, Xiang-Xiang and Zhu, Xin and Ma, Qiu-Juan and Ng, S.W. and Tiekink, E.R.T. (2011) (2-Bromoacetyl)ferrocene. Acta Crystallographica Section E: Structure Reports Online, 67 (12). M1875-U649. ISSN 1600-5368
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
topic QC Physics
spellingShingle QC Physics
Wu, Xiang-Xiang
Zhu, Xin
Ma, Qiu-Juan
Ng, S.W.
Tiekink, E.R.T.
(2-Bromoacetyl)ferrocene
description In the title molecule, [Fe(C5H5)(C7H6BrO)], the C atoms of the substituted ring have disparate Fe-C bond lengths compared with the unsubstituted ring. In the bromoacetyl residue, the Br and O atoms are co-planar [the O-C-C-Br torsion angle is 5.7 (4)degrees] and are syn to each other. Helical supramolecular chains along the b axis are formed in the crystal structure mediated by C-H center dot center dot center dot O contacts; the carbonyl-O atom is bifurcated. The chains are linked into layers by C-H center dot center dot center dot pi (unsubstituted ring) interactions that stack along the a-axis direction.
format Article
author Wu, Xiang-Xiang
Zhu, Xin
Ma, Qiu-Juan
Ng, S.W.
Tiekink, E.R.T.
author_facet Wu, Xiang-Xiang
Zhu, Xin
Ma, Qiu-Juan
Ng, S.W.
Tiekink, E.R.T.
author_sort Wu, Xiang-Xiang
title (2-Bromoacetyl)ferrocene
title_short (2-Bromoacetyl)ferrocene
title_full (2-Bromoacetyl)ferrocene
title_fullStr (2-Bromoacetyl)ferrocene
title_full_unstemmed (2-Bromoacetyl)ferrocene
title_sort (2-bromoacetyl)ferrocene
publisher International Union of Crystallography
publishDate 2011
url http://eprints.um.edu.my/14628/
_version_ 1643689861715066880
score 13.160551

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