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Synthesis and crystal structure of 1,3-bis{[N,N-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene
In the crystal structure of the title compound, C(30)H(50)N(4)O(4), the two bis(hydroxyethyl)amino moieties and the 2,4-dimethylpyridinylamino unit of the molecule are located on one side of the central benzene ring, while the ethyl substituents are oriented in the opposite direction. The di...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9361370/ https://www.ncbi.nlm.nih.gov/pubmed/35974834 http://dx.doi.org/10.1107/S2056989022007411 |
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author | Stapf, Manuel Schmidt, Ute Seichter, Wilhelm Mazik, Monika |
author_facet | Stapf, Manuel Schmidt, Ute Seichter, Wilhelm Mazik, Monika |
author_sort | Stapf, Manuel |
collection | PubMed |
description | In the crystal structure of the title compound, C(30)H(50)N(4)O(4), the two bis(hydroxyethyl)amino moieties and the 2,4-dimethylpyridinylamino unit of the molecule are located on one side of the central benzene ring, while the ethyl substituents are oriented in the opposite direction. The dihedral angle between the planes of the aromatic rings is 73.6 (1)°. The conformation of the molecule is stabilized by intramolecular O—H⋯O (1.86–2.12 Å) and C—H⋯N (2.40, 2.54 Å) hydrogen bonds. Dimers of inversion-related molecules represent the basic supramolecular entities of the crystal structure. They are further connected via O—H⋯O hydrogen bonding into undulating layers extending parallel to the crystallographic bc plane. Interlayer interaction is accomplished by weak C—H⋯π contacts. |
format | Online Article Text |
id | pubmed-9361370 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-93613702022-08-15 Synthesis and crystal structure of 1,3-bis{[N,N-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene Stapf, Manuel Schmidt, Ute Seichter, Wilhelm Mazik, Monika Acta Crystallogr E Crystallogr Commun Research Communications In the crystal structure of the title compound, C(30)H(50)N(4)O(4), the two bis(hydroxyethyl)amino moieties and the 2,4-dimethylpyridinylamino unit of the molecule are located on one side of the central benzene ring, while the ethyl substituents are oriented in the opposite direction. The dihedral angle between the planes of the aromatic rings is 73.6 (1)°. The conformation of the molecule is stabilized by intramolecular O—H⋯O (1.86–2.12 Å) and C—H⋯N (2.40, 2.54 Å) hydrogen bonds. Dimers of inversion-related molecules represent the basic supramolecular entities of the crystal structure. They are further connected via O—H⋯O hydrogen bonding into undulating layers extending parallel to the crystallographic bc plane. Interlayer interaction is accomplished by weak C—H⋯π contacts. International Union of Crystallography 2022-07-26 /pmc/articles/PMC9361370/ /pubmed/35974834 http://dx.doi.org/10.1107/S2056989022007411 Text en © Stapf et al. 2022 https://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. |
spellingShingle | Research Communications Stapf, Manuel Schmidt, Ute Seichter, Wilhelm Mazik, Monika Synthesis and crystal structure of 1,3-bis{[N,N-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene |
title | Synthesis and crystal structure of 1,3-bis{[N,N-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene |
title_full | Synthesis and crystal structure of 1,3-bis{[N,N-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene |
title_fullStr | Synthesis and crystal structure of 1,3-bis{[N,N-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene |
title_full_unstemmed | Synthesis and crystal structure of 1,3-bis{[N,N-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene |
title_short | Synthesis and crystal structure of 1,3-bis{[N,N-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene |
title_sort | synthesis and crystal structure of 1,3-bis{[n,n-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9361370/ https://www.ncbi.nlm.nih.gov/pubmed/35974834 http://dx.doi.org/10.1107/S2056989022007411 |
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