Seryotkin Yury V, Drebushchak Tatiana N, Boldyreva Elena V
Novosibirsk State University, REC-008, Pirogova 2, Novosibirsk 90, Russian Federation.
Acta Crystallogr B. 2013 Feb;69(Pt 1):77-85. doi: 10.1107/S0108768112051142. Epub 2013 Jan 19.
The crystal structure of the high-pressure polymorph (α') of an antidiabetic drug, chlorpropamide [4-chloro-N-(propylaminocarbonyl)benzenesulfonamide, C(10)H(13)ClN(2)O(3)S], which is formed at ~2.8 GPa from the α-polymorph (P2(1)2(1)2(1)) on hydrostatic compression in saturated ethanol solution, has been determined. As a result of the phase transition, the a, c and α parameters change jumpwise, whereas the changes in b parameter are continuous through the phase transition point. The high-pressure form is monoclinic (P2(1)11) and has Z' equal to 2, the two independent molecules differing in their conformations. The hydrogen bonds expand slightly in the high-pressure polymorph after the transition, and this expansion is interrelated with the changes in molecular conformations enabling a denser packing. The transition is reversible, but the crystal quality deteriorates as a result of multiple compression-decompression cycles, and a pseudomerohedral twinning accompanies the transformation.
已确定一种抗糖尿病药物氯磺丙脲[4-氯-N-(丙基氨基甲酰基)苯磺酰胺，C(10)H(13)ClN(2)O(3)S]在饱和乙醇溶液中进行静水压压缩时，由α多晶型(P2(1)2(1)2(1))在约2.8 GPa压力下形成的高压多晶型(α')的晶体结构。相变导致a、c和α参数发生突变，而b参数在相变点处的变化是连续的。高压形式为单斜晶系(P2(1)11)，Z'等于2，两个独立分子的构象不同。相变后高压多晶型中的氢键略有扩展，这种扩展与分子构象的变化相关，从而实现更紧密的堆积。该转变是可逆的，但由于多次压缩-减压循环，晶体质量会变差，并且转变伴随着假单斜孪生。
