Structures from powders: bupropion hydrochloride.
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.
Maccaroni
Elisabetta
E
Dipartimento di Scienze Chimiche e Ambientali, Università dell'Insubria, Via Valleggio 11, I-22100 Como, Italy. emaccaroni@gmail.com
Malpezzi
Luciana
L
Masciocchi
Norberto
N
D018687:Antidepressive Agents, Second-Generation / Q000737:chemistry*; D016642:Bupropion / Q000737:chemistry*; D002152:Calorimetry, Differential Scanning; D015394:Molecular Structure; D011208:Powders; D014961:X-Ray Diffraction
D018687:Antidepressive Agents, Second-Generation; D011208:Powders; D016642:Bupropion