Bis(4-acetoxy-N-ethyl-N-n-propyltryptammonium) fumarate–fumaric acid (1/1)
Duyen N. K. Pham, Nathan Sackett, Andrew R Chadeayne, James A. Golen, David R. Manke
IUCrData September 7, 2023 DOI: 10.1107/s2414314623007794 (opens in new tab)
Study at a glance
AI-extracted from the abstract| Characteristics | Crystallographic study Peer reviewed |
|---|---|
| Keywords | Fumaric acid Hydrogen bond Molecule Protonation Adduct Crystal structure Dimethyl fumarate Stereochemistry Salt chemistry Crystallography Medicinal chemistry Organic chemistry Alkaloids |
| Citations | 1 |
| Key points | The solid-state structure of the title salt/adduct consists of infinite chains held together by N—H...O and O—H...O hydrogen bonds. |
Abstract
The solid-state structure of the title salt/adduct (systemic name: bis{[2-(4-acetyloxy-1 H -indol-3-yl)ethyl](ethyl)propylazanium} but-2-enedioate–( E )-butenedioic acid (1/1)), 2C 17 H 25 N 2 O 2 + ·C 4 H 2 O 4 2− ·C 4 H 4 O 4 , was determined by single-crystal X-ray diffraction. The asymmetric unit consists of a singly protonated tryptammonium cation, one half of a fumarate dianion and one half of a fumaric acid molecule. In the crystal, the ions and molecules are linked together in infinite chains propagating along [001] through a series of N—H...O and O—H...O hydrogen bonds.