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    J Pharm Biomed Anal. 2009 Sep 8;50(2):257-61. Epub 2009 May 3.

    Structures from powders: bupropion hydrochloride.

    Maccaroni E, Malpezzi L, Masciocchi N.

    Dipartimento di Scienze Chimiche e Ambientali, Università dell'Insubria, Via Valleggio 11, I-22100 Como, Italy. emaccaroni@gmail.com

    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.

    PMID: 19464134 [PubMed - indexed for MEDLINE]

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