Pressure-Stabilized Solvates of Xylazine Hydrochloride

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• 作者：Anna Olejniczak ; Kristı̅ne Kru̅kle-Be̅rziņa ; Andrzej Katrusiak
• 刊名：Crystal Growth & Design
• 出版年：2016
• 出版时间：July 6, 2016
• 年：2016
• 卷：16
• 期：7
• 页码：3756-3762
• 全文大小：529K
• 年卷期：0
• ISSN：1528-7505

文摘

High pressure strongly favors the highest-density polymorph Z of active pharmaceutical ingredient 2-(2,6-xylidino)-5,6-dihydro-4H-1,3-thiazine hydrochloride (xylazine hydrochloride, XylHCl) up to about 0.1 GPa only, but still higher pressure destabilizes this structure. Above 0.1 GPa, XylHCl preferentially crystallizes as solvates with CH₂Cl₂, CHCl₃, or (CH₃)₂CHOH depending on the solvent used. However, when XylHCl·H₂O is dissolved in any of these solvents, the high-pressure crystallizations yield the hydrate XylHCl·H₂O only. The single crystals of the CH₂Cl₂, CHCl₃, and (CH₃)₂CHOH solvates could be grown in situ in a diamond anvil cell, which allowed their structure determination from the single-crystal diffraction data. At 0.4 GPa the XylHCl·H₂O hydrate undergoes a pressure-induced phase transition doubling the unit cell dimensions.