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三斜晶系(Z' = 2)抗寄生虫药物替硝唑的固态研究。

Solid-state studies of the triclinic (Z' = 2) antiprotozoal drug ternidazole.

机构信息

Laboratoire de Chimie Physique (former EA4066), Faculté de Pharmacie, Université Paris Descartes, 75006 Paris, France.

出版信息

J Pharm Sci. 2011 Jun;100(6):2258-66. doi: 10.1002/jps.22460. Epub 2011 Jan 18.

DOI:10.1002/jps.22460
PMID:21246558
Abstract

The solid-state properties of antiprotozoal ternidazole (3-(2-methyl-5-nitroimidazol-1-yl)-propan-1-ol) have been studied. Crystals are triclinic in the temperature interval between 100 and 333 K (melting point) with two different molecular conformations present in the asymmetric unit (Z' = 2) and two of each conformer make up a tetramer held together by hydrogen bonding. Its melting enthalpy at 333 K is 25.65 (± 1.29) kJ · mol(-1). Linear plots were obtained for the melting temperature versus pressure (dP/dT = 5.67 (± 0.08) MPa · K(-1)] and the glass transition versus pressure [dP/dT = 7.73 (±1.76) MPa · K(-1)]. No crystalline polymorphism could be detected; thus, the single-crystal structure that has been found is most likely the stable one.

摘要

抗原生动物药物替硝唑(3-(2-甲基-5-硝基咪唑-1-基)-1-丙醇)的固态性质已经过研究。在 100 至 333 K(熔点)之间的温度范围内,晶体为三斜晶系,在不对称单元(Z' = 2)中存在两种不同的分子构象,每个构象各有两种,通过氢键形成四聚体。在 333 K 时的熔融焓为 25.65(±1.29)kJ·mol(-1)。熔融温度与压力的线性关系为(dP/dT = 5.67(±0.08)MPa·K(-1)]和玻璃化转变与压力的线性关系为 [dP/dT = 7.73(±1.76)MPa·K(-1)]。未检测到结晶多态性;因此,所发现的单晶结构很可能是稳定的。

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