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Bronchial Thermoplasty: A Novel Therapeutic Approach to Severe Asthma

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Published on: November 4, 2010

2-Bromo-beclometasone dipropionate.

Kamal Aziz Ketuly¹, A Hamid A Hadi, Seik Weng Ng

¹Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

This summary is machine-generated.

The crystal structure of 2-bromo-beclometasone dipropionate reveals planar and chair conformations in its rings. Molecules self-associate via hydrogen bonding, forming chains, and the crystal exhibits twinning.

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Area of Science:

Crystallography
Structural Chemistry
Materials Science

Background:

Beclometasone dipropionate is a synthetic corticosteroid with anti-inflammatory properties.
Understanding the crystal structure of pharmaceutical compounds is crucial for predicting their physical and chemical behavior.
Detailed structural analysis can inform drug formulation and stability.

Purpose of the Study:

To elucidate the detailed crystal structure of 2-bromo-beclometasone dipropionate.
To investigate the intermolecular interactions and supramolecular assembly within the crystal lattice.
To characterize the crystallographic features, including conformation and twinning.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
Analysis of bond lengths, bond angles, and conformational parameters.
Identification of hydrogen bonding networks and crystal packing.

Main Results:

The crystal structure of 2-bromo-beclometasone dipropionate (C28H36BrClO7) was determined.
Planar and chair conformations were observed in the six-membered rings.
Self-association via O-H⋯O(propionate) hydrogen bonding formed supramolecular chains along the b axis.
The crystal was found to be twinned, with a monoclinic unit cell mimicking an orthorhombic system, and the major twin component was approximately 60%.

Conclusions:

The study provides a precise structural description of 2-bromo-beclometasone dipropionate at the molecular and crystal level.
The observed hydrogen bonding and supramolecular arrangement offer insights into the compound's solid-state properties.
The characterization of crystal twinning is important for accurate crystallographic analysis and potential implications in solid-state behavior.