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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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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 |
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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 |
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