Cargando…

Bis(4-hy­droxy-N-isopropyl-N-methyl­trypt­ammo­nium) fumarate: a new crystalline form of miprocin

The title compound, bis­(4-hy­droxy-N-isopropyl-N-methyl­tryptammonium) (4-HO-MiPT) fumarate (systematic name: bis­{[2-(4-hy­droxy-1H-indol-3-yl)eth­yl](meth­yl)propan-2-yl­aza­nium} but-2-enedioate), 2C(14)H(21)N(2)O(+)·C(4)H(2)O(4) (2−), has a singly protonated tryptammonium cation and one half of...

Descripción completa

Detalles Bibliográficos
Autores principales: Chadeayne, Andrew R., Pham, Duyen N. K., Golen, James A., Manke, David R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7133045/
https://www.ncbi.nlm.nih.gov/pubmed/32280495
http://dx.doi.org/10.1107/S2056989020002923
_version_ 1783517553851629568
author Chadeayne, Andrew R.
Pham, Duyen N. K.
Golen, James A.
Manke, David R.
author_facet Chadeayne, Andrew R.
Pham, Duyen N. K.
Golen, James A.
Manke, David R.
author_sort Chadeayne, Andrew R.
collection PubMed
description The title compound, bis­(4-hy­droxy-N-isopropyl-N-methyl­tryptammonium) (4-HO-MiPT) fumarate (systematic name: bis­{[2-(4-hy­droxy-1H-indol-3-yl)eth­yl](meth­yl)propan-2-yl­aza­nium} but-2-enedioate), 2C(14)H(21)N(2)O(+)·C(4)H(2)O(4) (2−), has a singly protonated tryptammonium cation and one half of a fumarate dianion in the asymmetric unit. The tryptammonium and fumarate ions are held together in one-dimensional chains by N—H⋯O and O—H⋯O hydrogen bonds. These chains are a combination of R (4) (2)(20) rings, and C (2) (2)(15) and C (4) (4)(30) parallel chains along (110). They are further consolidated by N—H⋯π inter­actions. There are two two-component types of disorder impacting the tryptammonium fragment with a 0.753 (7):0.247 (7) occupancy ratio and one of the fumarate oxygen atoms with a 0.73 (8):0.27 (8) ratio.
format Online
Article
Text
id pubmed-7133045
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-71330452020-04-10 Bis(4-hy­droxy-N-isopropyl-N-methyl­trypt­ammo­nium) fumarate: a new crystalline form of miprocin Chadeayne, Andrew R. Pham, Duyen N. K. Golen, James A. Manke, David R. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, bis­(4-hy­droxy-N-isopropyl-N-methyl­tryptammonium) (4-HO-MiPT) fumarate (systematic name: bis­{[2-(4-hy­droxy-1H-indol-3-yl)eth­yl](meth­yl)propan-2-yl­aza­nium} but-2-enedioate), 2C(14)H(21)N(2)O(+)·C(4)H(2)O(4) (2−), has a singly protonated tryptammonium cation and one half of a fumarate dianion in the asymmetric unit. The tryptammonium and fumarate ions are held together in one-dimensional chains by N—H⋯O and O—H⋯O hydrogen bonds. These chains are a combination of R (4) (2)(20) rings, and C (2) (2)(15) and C (4) (4)(30) parallel chains along (110). They are further consolidated by N—H⋯π inter­actions. There are two two-component types of disorder impacting the tryptammonium fragment with a 0.753 (7):0.247 (7) occupancy ratio and one of the fumarate oxygen atoms with a 0.73 (8):0.27 (8) ratio. International Union of Crystallography 2020-03-10 /pmc/articles/PMC7133045/ /pubmed/32280495 http://dx.doi.org/10.1107/S2056989020002923 Text en © Chadeayne et al. 2020 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
Chadeayne, Andrew R.
Pham, Duyen N. K.
Golen, James A.
Manke, David R.
Bis(4-hy­droxy-N-isopropyl-N-methyl­trypt­ammo­nium) fumarate: a new crystalline form of miprocin
title Bis(4-hy­droxy-N-isopropyl-N-methyl­trypt­ammo­nium) fumarate: a new crystalline form of miprocin
title_full Bis(4-hy­droxy-N-isopropyl-N-methyl­trypt­ammo­nium) fumarate: a new crystalline form of miprocin
title_fullStr Bis(4-hy­droxy-N-isopropyl-N-methyl­trypt­ammo­nium) fumarate: a new crystalline form of miprocin
title_full_unstemmed Bis(4-hy­droxy-N-isopropyl-N-methyl­trypt­ammo­nium) fumarate: a new crystalline form of miprocin
title_short Bis(4-hy­droxy-N-isopropyl-N-methyl­trypt­ammo­nium) fumarate: a new crystalline form of miprocin
title_sort bis(4-hy­droxy-n-isopropyl-n-methyl­trypt­ammo­nium) fumarate: a new crystalline form of miprocin
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7133045/
https://www.ncbi.nlm.nih.gov/pubmed/32280495
http://dx.doi.org/10.1107/S2056989020002923
work_keys_str_mv AT chadeayneandrewr bis4hydroxynisopropylnmethyltryptammoniumfumarateanewcrystallineformofmiprocin
AT phamduyennk bis4hydroxynisopropylnmethyltryptammoniumfumarateanewcrystallineformofmiprocin
AT golenjamesa bis4hydroxynisopropylnmethyltryptammoniumfumarateanewcrystallineformofmiprocin
AT mankedavidr bis4hydroxynisopropylnmethyltryptammoniumfumarateanewcrystallineformofmiprocin