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Ferrocenylbutadiyne

The title compound, [Fe(C(5)H(5))(C(9)H(5))], crystallizes in a form of a π–π-stacked assembly formed as a result of strong inter­molecular π–π inter­actions between (a) the triple bonds of two neighboring butadiyne substituents overlapping in a ‘head-to-tail’ fashion [characterized by C⋯C short con...

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Detalles Bibliográficos
Autores principales: Nemykin, Victor N., Dorweiler, Jason D., Subbotin, Roman I.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968460/
https://www.ncbi.nlm.nih.gov/pubmed/21582079
http://dx.doi.org/10.1107/S1600536809005522
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author Nemykin, Victor N.
Dorweiler, Jason D.
Subbotin, Roman I.
author_facet Nemykin, Victor N.
Dorweiler, Jason D.
Subbotin, Roman I.
author_sort Nemykin, Victor N.
collection PubMed
description The title compound, [Fe(C(5)H(5))(C(9)H(5))], crystallizes in a form of a π–π-stacked assembly formed as a result of strong inter­molecular π–π inter­actions between (a) the triple bonds of two neighboring butadiyne substituents overlapping in a ‘head-to-tail’ fashion [characterized by C⋯C short contacts of 3.622 (5), 3.567 (6) and 3.556 (6) Å] and (b) the triple bonds of the butadiyne substituent and substituted cyclo­pendadiene ring of neighboring mol­ecules [C⋯C = 3.474 (5) and 3.492 (6) Å]. The linear butadiyne substituent has alternating C—C triple and single bonds, while the unsubstituted cyclo­penta­diene ring is slightly positionally disordered (although the structure reported here was solved as non-disordered) and retains a close to eclipsed conformation.
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spelling pubmed-29684602010-12-30 Ferrocenylbutadiyne Nemykin, Victor N. Dorweiler, Jason D. Subbotin, Roman I. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, [Fe(C(5)H(5))(C(9)H(5))], crystallizes in a form of a π–π-stacked assembly formed as a result of strong inter­molecular π–π inter­actions between (a) the triple bonds of two neighboring butadiyne substituents overlapping in a ‘head-to-tail’ fashion [characterized by C⋯C short contacts of 3.622 (5), 3.567 (6) and 3.556 (6) Å] and (b) the triple bonds of the butadiyne substituent and substituted cyclo­pendadiene ring of neighboring mol­ecules [C⋯C = 3.474 (5) and 3.492 (6) Å]. The linear butadiyne substituent has alternating C—C triple and single bonds, while the unsubstituted cyclo­penta­diene ring is slightly positionally disordered (although the structure reported here was solved as non-disordered) and retains a close to eclipsed conformation. International Union of Crystallography 2009-02-21 /pmc/articles/PMC2968460/ /pubmed/21582079 http://dx.doi.org/10.1107/S1600536809005522 Text en © Nemykin et al. 2009 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
Nemykin, Victor N.
Dorweiler, Jason D.
Subbotin, Roman I.
Ferrocenylbutadiyne
title Ferrocenylbutadiyne
title_full Ferrocenylbutadiyne
title_fullStr Ferrocenylbutadiyne
title_full_unstemmed Ferrocenylbutadiyne
title_short Ferrocenylbutadiyne
title_sort ferrocenylbutadiyne
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968460/
https://www.ncbi.nlm.nih.gov/pubmed/21582079
http://dx.doi.org/10.1107/S1600536809005522
work_keys_str_mv AT nemykinvictorn ferrocenylbutadiyne
AT dorweilerjasond ferrocenylbutadiyne
AT subbotinromani ferrocenylbutadiyne