Crystal packing principles for ferrocenyl groups linked by polyyne chains: Dimorphism of Fc-C<inf>4</inf>-Fc

Maharaj, F; McDonagh, A; Scudder, M; Craig, D; Dance, I

Crystal packing principles for ferrocenyl groups linked by polyyne chains: Dimorphism of Fc-C<inf>4</inf>-Fc

Maharaj, F McDonagh, A

Scudder, M Craig, D Dance, I

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Publication Type:: Journal Article
Citation:: CrystEngComm, 2003, 5 pp. 305 - 309
Issue Date:: 2003-08-15

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Field	Value	Language
dc.contributor.author	Maharaj, F	en_US
dc.contributor.author	McDonagh, A https://orcid.org/0000-0002-9502-1175	en_US
dc.contributor.author	Scudder, M	en_US
dc.contributor.author	Craig, D	en_US
dc.contributor.author	Dance, I	en_US
dc.date.issued	2003-08-15	en_US
dc.identifier.citation	CrystEngComm, 2003, 5 pp. 305 - 309	en_US
dc.identifier.issn	1466-8033	en_US
dc.identifier.uri	http://hdl.handle.net/10453/584
dc.description.abstract	The crystal structure and packing of a new dimorph (2B) of 1,4-diferrocenyl-1,3-butadiyne (Fc-C4-Fc, 2) is described and analysed, and compared with the different crystal packing of dimorph 2A. This analysis is made in the context of the polymorphic crystal packing of ferrocene (1), and the crystal packing of 1,8-diferrocenyl-octatetrayne, Fc-C 4-Fc. In 2B the packing is layered, allowing the Fc groups to be organised in approximately square arrays of well-developed edge-to-face (EF) motifs, very similar to the arrangement in the monoclinic and triclinic polymorphs of ferrocene. The C4 chains are sandwiched between the Fc layers in 2B. The same molecule in 2A is packed with some offset-face-to-face (OFF) motifs between Fc groups, and with a motif in which C4 chains occupy the grooves between cyclopentadienyl rings of Fc. In FcC8Fc the packing is dominated by the C8 chains, surrounded by six molecules, two of which present cyclopentadienyl faces to the C8 chain, and four present the groove in the ferrocenyl group, with no EF or OFF motifs. In this progression of structure types and intermolecular motifs for molecules Fc-Cn-Fc, the members with C4 occur at the transition between the ferrocenyl dominant intermolecular motifs and the C n chain dominant features. Dimorph 2A is like the longer chain structure, while 2B is like ferrocene. © The Royal Society of Chemistry 2003.	en_US
dc.relation.ispartof	CrystEngComm	en_US
dc.relation.isbasedon	10.1039/b307082d	en_US
dc.subject.classification	Inorganic & Nuclear Chemistry	en_US
dc.title	Crystal packing principles for ferrocenyl groups linked by polyyne chains: Dimorphism of Fc-C<inf>4</inf>-Fc	en_US
dc.type	Journal Article
utslib.citation.volume	5	en_US
utslib.for	0306 Physical Chemistry (incl. Structural)	en_US
utslib.for	0302 Inorganic Chemistry	en_US
utslib.for	0912 Materials Engineering	en_US
pubs.embargo.period	Not known	en_US
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
pubs.organisational-group	/University of Technology Sydney/Strength - CCET - Centre for Clean Energy Technology
utslib.copyright.status	open_access
pubs.publication-status	Published	en_US
pubs.volume	5	en_US

Abstract:

The crystal structure and packing of a new dimorph (2B) of 1,4-diferrocenyl-1,3-butadiyne (Fc-C4-Fc, 2) is described and analysed, and compared with the different crystal packing of dimorph 2A. This analysis is made in the context of the polymorphic crystal packing of ferrocene (1), and the crystal packing of 1,8-diferrocenyl-octatetrayne, Fc-C 4-Fc. In 2B the packing is layered, allowing the Fc groups to be organised in approximately square arrays of well-developed edge-to-face (EF) motifs, very similar to the arrangement in the monoclinic and triclinic polymorphs of ferrocene. The C4 chains are sandwiched between the Fc layers in 2B. The same molecule in 2A is packed with some offset-face-to-face (OFF) motifs between Fc groups, and with a motif in which C4 chains occupy the grooves between cyclopentadienyl rings of Fc. In FcC8Fc the packing is dominated by the C8 chains, surrounded by six molecules, two of which present cyclopentadienyl faces to the C8 chain, and four present the groove in the ferrocenyl group, with no EF or OFF motifs. In this progression of structure types and intermolecular motifs for molecules Fc-Cn-Fc, the members with C4 occur at the transition between the ferrocenyl dominant intermolecular motifs and the C n chain dominant features. Dimorph 2A is like the longer chain structure, while 2B is like ferrocene. © The Royal Society of Chemistry 2003.

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http://hdl.handle.net/10453/584