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Crystal structure of 2,2′′-bis(2,7-dichloro-9-hydroxy-9H-fluoren-9-yl)-1,1′:4′,1′′-terphenyl triethylamine trisolvate
In the title solvate, C(44)H(26)Cl(4)O(2)·3C(6)H(15)N, the asymmetric part of the unit cell comprises two halves of the diol molecules, 2,2′′-bis(2,7-dichloro-9-hydroxy-9H-fluoren-9-yl)-1,1′:4′,1′′-terphenyl, and three molecules of triethylamine, i. e. the diol molecules are located on cryst...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719809/ https://www.ncbi.nlm.nih.gov/pubmed/26870400 http://dx.doi.org/10.1107/S2056989015018824 |
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author | Klien, Henrik Seichter, Wilhelm Weber, Edwin |
author_facet | Klien, Henrik Seichter, Wilhelm Weber, Edwin |
author_sort | Klien, Henrik |
collection | PubMed |
description | In the title solvate, C(44)H(26)Cl(4)O(2)·3C(6)H(15)N, the asymmetric part of the unit cell comprises two halves of the diol molecules, 2,2′′-bis(2,7-dichloro-9-hydroxy-9H-fluoren-9-yl)-1,1′:4′,1′′-terphenyl, and three molecules of triethylamine, i. e. the diol molecules are located on crystallographic symmetry centres. Two of the solvent molecules are disordered over two positions [occupancy ratios of 0.567 (3):0.433 (3) and 0.503 (3):0.497 (3)]. In the diol molecules, the outer rings of the 1,1′:4′,1′′-terphenyl elements are twisted with reference to their central arene ring and the mean planes of the fluorenyl moieties are inclined with respect to the terphenyl ring to which they are connected, the latter making dihedral angles of 82.05 (8) and 82.28 (8)°. The presence of two 9-fluoren-9-ol units attached at positions 2 and 2′′ of the terphenyl moiety induces a ‘folded’ geometry which is stabilized by intramolecular C—H⋯O hydrogen bonds and π–π stacking interactions, the latter formed between the fluorenyl units and the central ring of the terphenyl unit [centroid–centroid distances = 3.559 (1) and 3.562 (1) Å]. The crystal is composed of 1:2 complex units, in which the solvent molecules are associated with the diol molecules via O—H⋯N hydrogen bonds, while the remaining solvent molecule is linked to the host by a C—H⋯N hydrogen bond. The given pattern of intermolecular interactions results in formation of chain structures extending along [010]. |
format | Online Article Text |
id | pubmed-4719809 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47198092016-02-11 Crystal structure of 2,2′′-bis(2,7-dichloro-9-hydroxy-9H-fluoren-9-yl)-1,1′:4′,1′′-terphenyl triethylamine trisolvate Klien, Henrik Seichter, Wilhelm Weber, Edwin Acta Crystallogr E Crystallogr Commun Research Communications In the title solvate, C(44)H(26)Cl(4)O(2)·3C(6)H(15)N, the asymmetric part of the unit cell comprises two halves of the diol molecules, 2,2′′-bis(2,7-dichloro-9-hydroxy-9H-fluoren-9-yl)-1,1′:4′,1′′-terphenyl, and three molecules of triethylamine, i. e. the diol molecules are located on crystallographic symmetry centres. Two of the solvent molecules are disordered over two positions [occupancy ratios of 0.567 (3):0.433 (3) and 0.503 (3):0.497 (3)]. In the diol molecules, the outer rings of the 1,1′:4′,1′′-terphenyl elements are twisted with reference to their central arene ring and the mean planes of the fluorenyl moieties are inclined with respect to the terphenyl ring to which they are connected, the latter making dihedral angles of 82.05 (8) and 82.28 (8)°. The presence of two 9-fluoren-9-ol units attached at positions 2 and 2′′ of the terphenyl moiety induces a ‘folded’ geometry which is stabilized by intramolecular C—H⋯O hydrogen bonds and π–π stacking interactions, the latter formed between the fluorenyl units and the central ring of the terphenyl unit [centroid–centroid distances = 3.559 (1) and 3.562 (1) Å]. The crystal is composed of 1:2 complex units, in which the solvent molecules are associated with the diol molecules via O—H⋯N hydrogen bonds, while the remaining solvent molecule is linked to the host by a C—H⋯N hydrogen bond. The given pattern of intermolecular interactions results in formation of chain structures extending along [010]. International Union of Crystallography 2015-11-04 /pmc/articles/PMC4719809/ /pubmed/26870400 http://dx.doi.org/10.1107/S2056989015018824 Text en © Klien et al. 2015 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 | Research Communications Klien, Henrik Seichter, Wilhelm Weber, Edwin Crystal structure of 2,2′′-bis(2,7-dichloro-9-hydroxy-9H-fluoren-9-yl)-1,1′:4′,1′′-terphenyl triethylamine trisolvate |
title | Crystal structure of 2,2′′-bis(2,7-dichloro-9-hydroxy-9H-fluoren-9-yl)-1,1′:4′,1′′-terphenyl triethylamine trisolvate |
title_full | Crystal structure of 2,2′′-bis(2,7-dichloro-9-hydroxy-9H-fluoren-9-yl)-1,1′:4′,1′′-terphenyl triethylamine trisolvate |
title_fullStr | Crystal structure of 2,2′′-bis(2,7-dichloro-9-hydroxy-9H-fluoren-9-yl)-1,1′:4′,1′′-terphenyl triethylamine trisolvate |
title_full_unstemmed | Crystal structure of 2,2′′-bis(2,7-dichloro-9-hydroxy-9H-fluoren-9-yl)-1,1′:4′,1′′-terphenyl triethylamine trisolvate |
title_short | Crystal structure of 2,2′′-bis(2,7-dichloro-9-hydroxy-9H-fluoren-9-yl)-1,1′:4′,1′′-terphenyl triethylamine trisolvate |
title_sort | crystal structure of 2,2′′-bis(2,7-dichloro-9-hydroxy-9h-fluoren-9-yl)-1,1′:4′,1′′-terphenyl triethylamine trisolvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719809/ https://www.ncbi.nlm.nih.gov/pubmed/26870400 http://dx.doi.org/10.1107/S2056989015018824 |
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