Kaspiaruk Hanna, Chęcińska Lilianna
University of Lodz Doctoral School of Exact and Natural Sciences, Narutowicza 68, 90-136 Łódź, Poland.
University of Lodz, Faculty of Chemistry, Pomorska 163/165, 90-236 Łódź, Poland.
Acta Crystallogr E Crystallogr Commun. 2024 Jan 26;80(Pt 2):196-200. doi: 10.1107/S2056989024000276. eCollection 2024 Feb 1.
The crystal structure of the new triclinic polymorph of miconazole {MIC; CHClNO; systematic name: ()-1-[2-(2,4-di-chloro-benz-yloxy)-2-(2,4-di-chloro-phen-yl)eth-yl]-1-imidazole} is reported and compared with the monoclinic form of solvent-free miconazole previously reported [Kaspiaruk & Chęcińska (2022 ▸). C, 343-350]. A comparison shows a different orientation of imidazole and one di-chloro-phenyl ring between polymorphic mol-ecules. In the crystal structure of the title compound, only weak halogen bonds and C-H⋯π(arene) inter-actions are found. Hirshfeld surface analysis and energy framework calculations complement the comparison of the two polymorphic forms of the miconazole drug.
报道了咪康唑新三斜晶型{MIC;CHClNO;系统名称:()-1-[2-(2,4-二氯苄氧基)-2-(2,4-二氯苯基)乙基]-1-咪唑}的晶体结构,并与先前报道的无溶剂咪康唑单斜晶型进行了比较[Kaspiaruk & Chęcińska (2022 ▸). C, 343 - 350]。比较表明,多晶型分子之间咪唑和一个二氯苯环的取向不同。在标题化合物的晶体结构中,仅发现弱卤素键和C-H⋯π(芳烃)相互作用。 Hirshfeld表面分析和能量框架计算补充了咪康唑药物两种多晶型形式的比较。