Hirshfeld Surface and Structure Analysis of Two Co-crystal of Isonicotinic Acid Hydrazide
10.3870/j.issn.1004-0781.2018.01.003
- VernacularTitle:2种异烟肼共晶的结构分析及Hirshfeld表面分析
- Author:
Baoxi ZHANG
1
;
Li ZHANG
;
Ningbo GONG
;
Yang LYU
;
Guanhua DU
Author Information
1. 北京协和医学院、中国医学科学院药物研究所、晶型药物研究北京市重点实验室
- Keywords:
Isonicotinic acid hydrazide;
Co-crystal;
Intermolecular interaction;
Hirshfeld surface analysis
- From:
Herald of Medicine
2018;37(1):12-15
- CountryChina
- Language:Chinese
-
Abstract:
Objective Two co-crystals of isonicotinic acid hydrazide(INH)-malonic acid and INH-glutaric acid were prepared.The formation mechanism and intermolecular interaction were studied. Methods Three-dimensional structure of 2 co-crystals were obtained though single crystal X-ray diffraction(SXRD), and intermolecular interaction was analyzed using Hirshfeld surface method. Results INH-malonic acid crystalized in stoichiometric ratio of 1:0.5,while INH-glutaric acid in 1:1.Two co-crystals maintain their stable arrangement in space by hydrogen bond and van der Waals force. Conclusion With the existence of pyridine ring and carbohydrazide group in INH,which mainter-molecular interaction in co-crystal can be directly and clearly revealed by Hirshfeld surface analysis.
