Bis(4-hy-droxy- N -isopropyl- N -methyl-trypt-ammo-nium) fumarate: a new crystalline form of miprocin

The title compound, bis-(4-hy-droxy- -isopropyl- -methyl-tryptammonium) (4-HO-MiPT) fumarate (systematic name: bis-{[2-(4-hy-droxy-1 -indol-3-yl)eth-yl](meth-yl)propan-2-yl-aza-nium} but-2-enedioate), 2C H N O ·C H O , has a singly protonated tryptammonium cation and one half of a fumarate dianion i...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2020-04, Vol.76 (Pt 4), p.514-517
Main Authors: Chadeayne, Andrew R, Pham, Duyen N K, Golen, James A, Manke, David R
Format: Article
Language:English
Subjects:
crystal structure
hydrogen bonding
indoles
Research Communications
tryptamines
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Summary:The title compound, bis-(4-hy-droxy- -isopropyl- -methyl-tryptammonium) (4-HO-MiPT) fumarate (systematic name: bis-{[2-(4-hy-droxy-1 -indol-3-yl)eth-yl](meth-yl)propan-2-yl-aza-nium} but-2-enedioate), 2C H N O ·C H O , 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 (20) rings, and (15) and (30) parallel chains along (110). They are further consolidated by N-H⋯π inter-actions. 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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989020002923