Structures from powders: bupropion hydrochloride

J Pharm Biomed Anal. 2009 Sep 8;50(2):257-61. doi: 10.1016/j.jpba.2009.04.021. Epub 2009 May 3.

Abstract

The crystal structure of bupropion hydrochloride, 1, was fully characterized from powdered crystalline samples, using the ab-initio XRPD technique and a global optimization strategy (simulated annealing), adopting, as starting model, the already known molecular structure of its ethanol solvate, 2. Bupropion hydrochloride crystallizes as a racemate in monoclinic system, space group P2(1)/c with Z=4, a=14.3406(3)A, b=8.7564(2)A, c=11.8801(2)A, beta=78.025(2) degrees , V=1459.34(5)A(3). In the crystals of 1 the molecules interact via strong NH[...]Cl contacts, generating dimeric entities with mu-Cl ions. Further stabilizing contacts, of the CH[...]O are at work, but differently organized in the 1 and 2 phases. The thermal behaviour of the product was assessed by differential scanning calorimetry.

MeSH terms

  • Antidepressive Agents, Second-Generation / chemistry*
  • Bupropion / chemistry*
  • Calorimetry, Differential Scanning
  • Molecular Structure
  • Powders*
  • X-Ray Diffraction

Substances

  • Antidepressive Agents, Second-Generation
  • Powders
  • Bupropion