The crystal structure of baeocystin

Area of Science:

• Biochemistry
• Crystallography
• Pharmacology

Background:

• Baeocystin, also known as 4-phosphor-yloxy-N-methyl-tryptamine, is a tryptamine derivative.
• Understanding the structural and bonding characteristics of baeocystin is crucial for its pharmacological investigation.

Purpose of the Study:

• To elucidate the crystal structure of baeocystin.
• To identify intra- and intermolecular interactions within the baeocystin crystal.

Main Methods:

• Single crystal X-ray diffraction analysis was employed.
• Structural analysis focused on hydrogen bonding patterns.

Main Results:

• Baeocystin crystallizes as a zwitterionic molecule in the asymmetric unit.
• An intramolecular hydrogen bond was observed between the ammonium cation and the hydro-phosphate anion.
• Extensive intermolecular N-H⋯O and O-H⋯O hydrogen bonds form a 3D network in the crystal.

Conclusions:

• The crystal structure reveals the zwitterionic nature and hydrogen bonding capabilities of baeocystin.
• The identified hydrogen bond network provides insights into the solid-state behavior of baeocystin.