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The crystal structure of the triclinic polymorph of 1,4-bis­([2,2′:6′,2′′-terpyridin]-4′-yl)benzene

The title triclinic polymorph (Form I) of 1,4-bis­([2,2′:6′,2′′-terpyridin]-4′-yl)benzene, C(36)H(24)N(6), was formed in the presence of the Lewis acid yttrium trichloride in an attempt to obtain a coordination compound. The crystal structure of the ortho­rhom­bic polymorph (Form II), has been descr...

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Autores principales: Sedykh, Alexander E., Kurth, Dirk G., Müller-Buschbaum, Klaus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895940/
https://www.ncbi.nlm.nih.gov/pubmed/31871763
http://dx.doi.org/10.1107/S2056989019015810
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author Sedykh, Alexander E.
Kurth, Dirk G.
Müller-Buschbaum, Klaus
author_facet Sedykh, Alexander E.
Kurth, Dirk G.
Müller-Buschbaum, Klaus
author_sort Sedykh, Alexander E.
collection PubMed
description The title triclinic polymorph (Form I) of 1,4-bis­([2,2′:6′,2′′-terpyridin]-4′-yl)benzene, C(36)H(24)N(6), was formed in the presence of the Lewis acid yttrium trichloride in an attempt to obtain a coordination compound. The crystal structure of the ortho­rhom­bic polymorph (Form II), has been described previously [Fernandes et al. (2010 ▸). Acta Cryst. E66, o3241–o3242]. The asymmetric unit of Form I consists of half a mol­ecule, the whole mol­ecule being generated by inversion symmetry with the central benzene ring being located about a crystallographic centre of symmetry. The side pyridine rings of the 2,2′:6′,2′′-terpyridine (terpy) unit are rotated slightly with respect to the central pyridine ring, with dihedral angles of 8.91 (8) and 10.41 (8)°. Opposite central pyridine rings are coplanar by symmetry, and the angle between them and the central benzene ring is 49.98 (8)°. The N atoms of the pyridine rings inside the terpy entities, N⋯N⋯N, lie in trans–trans positions. In the crystal, mol­ecules are linked by C—H⋯π and offset π–π inter­actions [inter­centroid distances are 3.6421 (16) and 3.7813 (16) Å], forming a three-dimensional structure.
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spelling pubmed-68959402019-12-23 The crystal structure of the triclinic polymorph of 1,4-bis­([2,2′:6′,2′′-terpyridin]-4′-yl)benzene Sedykh, Alexander E. Kurth, Dirk G. Müller-Buschbaum, Klaus Acta Crystallogr E Crystallogr Commun Research Communications The title triclinic polymorph (Form I) of 1,4-bis­([2,2′:6′,2′′-terpyridin]-4′-yl)benzene, C(36)H(24)N(6), was formed in the presence of the Lewis acid yttrium trichloride in an attempt to obtain a coordination compound. The crystal structure of the ortho­rhom­bic polymorph (Form II), has been described previously [Fernandes et al. (2010 ▸). Acta Cryst. E66, o3241–o3242]. The asymmetric unit of Form I consists of half a mol­ecule, the whole mol­ecule being generated by inversion symmetry with the central benzene ring being located about a crystallographic centre of symmetry. The side pyridine rings of the 2,2′:6′,2′′-terpyridine (terpy) unit are rotated slightly with respect to the central pyridine ring, with dihedral angles of 8.91 (8) and 10.41 (8)°. Opposite central pyridine rings are coplanar by symmetry, and the angle between them and the central benzene ring is 49.98 (8)°. The N atoms of the pyridine rings inside the terpy entities, N⋯N⋯N, lie in trans–trans positions. In the crystal, mol­ecules are linked by C—H⋯π and offset π–π inter­actions [inter­centroid distances are 3.6421 (16) and 3.7813 (16) Å], forming a three-dimensional structure. International Union of Crystallography 2019-11-29 /pmc/articles/PMC6895940/ /pubmed/31871763 http://dx.doi.org/10.1107/S2056989019015810 Text en © Sedykh et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Sedykh, Alexander E.
Kurth, Dirk G.
Müller-Buschbaum, Klaus
The crystal structure of the triclinic polymorph of 1,4-bis­([2,2′:6′,2′′-terpyridin]-4′-yl)benzene
title The crystal structure of the triclinic polymorph of 1,4-bis­([2,2′:6′,2′′-terpyridin]-4′-yl)benzene
title_full The crystal structure of the triclinic polymorph of 1,4-bis­([2,2′:6′,2′′-terpyridin]-4′-yl)benzene
title_fullStr The crystal structure of the triclinic polymorph of 1,4-bis­([2,2′:6′,2′′-terpyridin]-4′-yl)benzene
title_full_unstemmed The crystal structure of the triclinic polymorph of 1,4-bis­([2,2′:6′,2′′-terpyridin]-4′-yl)benzene
title_short The crystal structure of the triclinic polymorph of 1,4-bis­([2,2′:6′,2′′-terpyridin]-4′-yl)benzene
title_sort crystal structure of the triclinic polymorph of 1,4-bis­([2,2′:6′,2′′-terpyridin]-4′-yl)benzene
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895940/
https://www.ncbi.nlm.nih.gov/pubmed/31871763
http://dx.doi.org/10.1107/S2056989019015810
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