Cargando…

Crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms

Di-tert-butyl N,N′-{[13,15,28,30,31,33-hexa­ethyl-3,10,18,25,32,34-hexa­aza­penta­cyclo­[25.3.1.1(5,8).1(12,16).1(20,23)]tetra­triaconta-1(31),3,5,7,9,12(33),13,15,18,20,22,24,27,29-tetra­deca­ene-14,29-di­yl]bis­(methyl­ene)}dicarbamate methanol disolvate, C(52)H(72)N(8)O(4)·2CH(3)OH, was found to...

Descripción completa

Detalles Bibliográficos
Autores principales: Amrhein, Felix, Schwarzer, Anke, Mazik, Monika
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8061102/
https://www.ncbi.nlm.nih.gov/pubmed/33953942
http://dx.doi.org/10.1107/S2056989021001067
_version_ 1783681498052820992
author Amrhein, Felix
Schwarzer, Anke
Mazik, Monika
author_facet Amrhein, Felix
Schwarzer, Anke
Mazik, Monika
author_sort Amrhein, Felix
collection PubMed
description Di-tert-butyl N,N′-{[13,15,28,30,31,33-hexa­ethyl-3,10,18,25,32,34-hexa­aza­penta­cyclo­[25.3.1.1(5,8).1(12,16).1(20,23)]tetra­triaconta-1(31),3,5,7,9,12(33),13,15,18,20,22,24,27,29-tetra­deca­ene-14,29-di­yl]bis­(methyl­ene)}dicarbamate methanol disolvate, C(52)H(72)N(8)O(4)·2CH(3)OH, was found to crystallize in the space group P2(1)/c with one half of the macrocycle (host) and one mol­ecule of solvent (guest) in the asymmetric unit of the cell, i.e. the host mol­ecule is located on a crystallographic symmetry center. Within the 1:2 host–guest complex, the solvent mol­ecules are accommodated in the host cavity and held in their positions by O—H⋯N and N—H⋯O bonds, thus forming ring synthons of graph set R (2) (2)(7). The connection of the 1:2 host-guest complexes is accomplished by C—H⋯O, C—H⋯N and C—H⋯π inter­actions, which create a three-dimensional supra­molecular network.
format Online
Article
Text
id pubmed-8061102
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-80611022021-05-04 Crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms Amrhein, Felix Schwarzer, Anke Mazik, Monika Acta Crystallogr E Crystallogr Commun Research Communications Di-tert-butyl N,N′-{[13,15,28,30,31,33-hexa­ethyl-3,10,18,25,32,34-hexa­aza­penta­cyclo­[25.3.1.1(5,8).1(12,16).1(20,23)]tetra­triaconta-1(31),3,5,7,9,12(33),13,15,18,20,22,24,27,29-tetra­deca­ene-14,29-di­yl]bis­(methyl­ene)}dicarbamate methanol disolvate, C(52)H(72)N(8)O(4)·2CH(3)OH, was found to crystallize in the space group P2(1)/c with one half of the macrocycle (host) and one mol­ecule of solvent (guest) in the asymmetric unit of the cell, i.e. the host mol­ecule is located on a crystallographic symmetry center. Within the 1:2 host–guest complex, the solvent mol­ecules are accommodated in the host cavity and held in their positions by O—H⋯N and N—H⋯O bonds, thus forming ring synthons of graph set R (2) (2)(7). The connection of the 1:2 host-guest complexes is accomplished by C—H⋯O, C—H⋯N and C—H⋯π inter­actions, which create a three-dimensional supra­molecular network. International Union of Crystallography 2021-02-05 /pmc/articles/PMC8061102/ /pubmed/33953942 http://dx.doi.org/10.1107/S2056989021001067 Text en © Amrhein et al. 2021 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
Amrhein, Felix
Schwarzer, Anke
Mazik, Monika
Crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms
title Crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms
title_full Crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms
title_fullStr Crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms
title_full_unstemmed Crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms
title_short Crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms
title_sort crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8061102/
https://www.ncbi.nlm.nih.gov/pubmed/33953942
http://dx.doi.org/10.1107/S2056989021001067
work_keys_str_mv AT amrheinfelix crystalstructureofamethanolsolvateofamacrocyclebearingtwoflexiblesidearms
AT schwarzeranke crystalstructureofamethanolsolvateofamacrocyclebearingtwoflexiblesidearms
AT mazikmonika crystalstructureofamethanolsolvateofamacrocyclebearingtwoflexiblesidearms