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Preparation and Reactivity of a Triphosphenium Bromide Salt: A Convenient and Stable Source of PhosphorusI

Preparation and Reactivity of a Triphosphenium Bromide Salt: A Convenient and Stable Source of PhosphorusI

Published on: November 22, 2016

Pinaverium bromide.

Yoann Rousselin¹, Alexandre Clavel²

¹Université de Bourgogne, ICMUB-UMR 6302, 9 avenue Alain Savary, 21000 Dijon, France.

|September 9, 2024

Summary

This summary is machine-generated.

The crystal structure of pinaverium bromide, a compound with potential anti-inflammatory properties, was determined using X-ray crystallography. This study reveals its monoclinic symmetry and molecular arrangement, including specific details on molecular disorder.

Keywords:

anti-inflammatory properties crystal structure disorder morpholinium pinaverium bromide

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Area of Science:

Crystallography and Molecular Structure
Medicinal Chemistry
Pharmacology

Background:

Pinaverium bromide is a known spasmolytic agent.
Its potential anti-inflammatory properties warrant further investigation.
Understanding its molecular structure is crucial for drug design and development.

Purpose of the Study:

To determine the crystal structure of pinaverium bromide.
To elucidate the molecular arrangement and symmetry of pinaverium bromide.
To provide structural insights relevant to its anti-inflammatory activity.

Main Methods:

Single-crystal X-ray diffraction at 110 K.
Analysis of crystallographic data to determine unit cell parameters and space group.
Structure refinement and characterization of molecular disorder.

Main Results:

The crystal structure of pinaverium bromide was determined, revealing monoclinic (P21) symmetry.
The asymmetric unit contains two independent molecules.
One molecule exhibits disorder in the bicycloheptane terminal group with occupancy factors of 0.78 and 0.22.

Conclusions:

The study provides the first detailed crystallographic analysis of pinaverium bromide.
The determined structure offers a foundation for understanding its chemical properties and interactions.
Structural insights may guide future research into pinaverium bromide's anti-inflammatory mechanisms.