Cargando…
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...
Autores principales: | , , |
---|---|
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 |
_version_ | 1783476668027895808 |
---|---|
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. |
format | Online Article Text |
id | pubmed-6895940 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT sedykhalexandere thecrystalstructureofthetriclinicpolymorphof14bis2262terpyridin4ylbenzene AT kurthdirkg thecrystalstructureofthetriclinicpolymorphof14bis2262terpyridin4ylbenzene AT mullerbuschbaumklaus thecrystalstructureofthetriclinicpolymorphof14bis2262terpyridin4ylbenzene AT sedykhalexandere crystalstructureofthetriclinicpolymorphof14bis2262terpyridin4ylbenzene AT kurthdirkg crystalstructureofthetriclinicpolymorphof14bis2262terpyridin4ylbenzene AT mullerbuschbaumklaus crystalstructureofthetriclinicpolymorphof14bis2262terpyridin4ylbenzene |