Bis(4-acetoxy-N-ethyl-N-n-propyl-tryptammonium) fumarate-fumaric acid (1/1)

Area of Science:

• Crystallography
• Solid-state chemistry
• Supramolecular chemistry

Background:

• Tryptammonium derivatives are of interest in medicinal chemistry.
• Understanding the solid-state structure of salts and adducts is crucial for drug formulation.
• Fumaric acid is a common counterion in pharmaceutical salts.

Purpose of the Study:

• To determine the solid-state structure of a specific tryptammonium salt/adduct.
• To elucidate the intermolecular interactions governing the crystal packing.
• To characterize the hydrogen bonding network in the crystal.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the structure.
• Crystallographic data was collected and analyzed.
• Hydrogen bonding interactions were identified and analyzed.

Main Results:

• The asymmetric unit contains a singly protonated tryptammonium cation, a fumarate dianion, and a fumaric acid molecule.
• The crystal structure is characterized by infinite chains propagating along the [001] direction.
• N-H⋯O and O-H⋯O hydrogen bonds are the primary interactions responsible for chain formation.

Conclusions:

• The study provides a detailed understanding of the solid-state organization of this tryptammonium fumarate salt.
• The identified hydrogen bonding patterns offer insights into crystal engineering strategies.
• The structural data contributes to the knowledge base of tryptammonium derivatives and their solid forms.