Cargando…
Crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde
The non-symmetric title molecule, C(32)H(34)N(2)O(5), is based on a tetrasubstituted ethylenediamine backbone. The molecular structure consists of three hydroxybenzyl groups and one 2-hydroxy-5-methylbenzaldehyde group bonded to the N atoms of the diamine unit. The ethylenediamine skelet...
Autores principales: | , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257411/ https://www.ncbi.nlm.nih.gov/pubmed/25552993 http://dx.doi.org/10.1107/S1600536814024465 |
_version_ | 1782347745395212288 |
---|---|
author | Fonseca, Alexandra S. Bortoluzzi, Adailton J. |
author_facet | Fonseca, Alexandra S. Bortoluzzi, Adailton J. |
author_sort | Fonseca, Alexandra S. |
collection | PubMed |
description | The non-symmetric title molecule, C(32)H(34)N(2)O(5), is based on a tetrasubstituted ethylenediamine backbone. The molecular structure consists of three hydroxybenzyl groups and one 2-hydroxy-5-methylbenzaldehyde group bonded to the N atoms of the diamine unit. The ethylenediamine skeleton shows a regular extended conformation, while the spatial orientation of the phenol arms is governed by hydrogen bonds. In the 2-hydroxy-5-methylbenzaldehyde group, an intramolecular S(6) O—H⋯O hydrogen bond is observed between the alcohol and aldehyde functions, and the neighbouring phenol arm participates in an intramolecular S(6) O—H⋯N hydrogen bond. The third phenol group is involved in a bifurcated intramolecular hydrogen bond with graph-set notation S(6) for O—H⋯N and O—H⋯O intramolecular hydrogen bonds between neighbouring amine and phenol arms, respectively. Finally, the fourth phenol group acts as an acceptor in a bifurcated intramolecular hydrogen bond and also acts as donor in an intermolecular hydrogen bond, which connects inversion-related molecules into dimers with R (4) (4)(8) ring motifs. |
format | Online Article Text |
id | pubmed-4257411 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42574112014-12-31 Crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde Fonseca, Alexandra S. Bortoluzzi, Adailton J. Acta Crystallogr Sect E Struct Rep Online Research Communications The non-symmetric title molecule, C(32)H(34)N(2)O(5), is based on a tetrasubstituted ethylenediamine backbone. The molecular structure consists of three hydroxybenzyl groups and one 2-hydroxy-5-methylbenzaldehyde group bonded to the N atoms of the diamine unit. The ethylenediamine skeleton shows a regular extended conformation, while the spatial orientation of the phenol arms is governed by hydrogen bonds. In the 2-hydroxy-5-methylbenzaldehyde group, an intramolecular S(6) O—H⋯O hydrogen bond is observed between the alcohol and aldehyde functions, and the neighbouring phenol arm participates in an intramolecular S(6) O—H⋯N hydrogen bond. The third phenol group is involved in a bifurcated intramolecular hydrogen bond with graph-set notation S(6) for O—H⋯N and O—H⋯O intramolecular hydrogen bonds between neighbouring amine and phenol arms, respectively. Finally, the fourth phenol group acts as an acceptor in a bifurcated intramolecular hydrogen bond and also acts as donor in an intermolecular hydrogen bond, which connects inversion-related molecules into dimers with R (4) (4)(8) ring motifs. International Union of Crystallography 2014-11-21 /pmc/articles/PMC4257411/ /pubmed/25552993 http://dx.doi.org/10.1107/S1600536814024465 Text en © Fonseca and Bortoluzzi 2014 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 Fonseca, Alexandra S. Bortoluzzi, Adailton J. Crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde |
title | Crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde |
title_full | Crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde |
title_fullStr | Crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde |
title_full_unstemmed | Crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde |
title_short | Crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde |
title_sort | crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257411/ https://www.ncbi.nlm.nih.gov/pubmed/25552993 http://dx.doi.org/10.1107/S1600536814024465 |
work_keys_str_mv | AT fonsecaalexandras crystalstructureof32bis2hydroxybenzylaminoethyl2hydroxybenzylaminomethyl2hydroxy5methylbenzaldehyde AT bortoluzziadailtonj crystalstructureof32bis2hydroxybenzylaminoethyl2hydroxybenzylaminomethyl2hydroxy5methylbenzaldehyde |