Crystal Structure of Liguzinediol, 2,5-Dimethylol-3,6-dimethylpyrazine |
| |
Authors: | Haohao Zhu Chengbo Qian Jianguo Cai Minzhe Shen Wei Li Jian Liu Tianlin Wang Hongmei Wen |
| |
Institution: | 1.School of Pharmacy,Nanjing University of Chinese Medicine,Nanjing, Jiangsu,China;2.Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization,Nanjing, Jiangsu,China |
| |
Abstract: | The 2,5-dimethylol-3,6-dimethylpyrazine, C8H12N2O2, liguzinediol, has been recently discovered as a potential agent for the treatment of heart failure with low safety risk. The crystal structure of liguzinediol, which has been determined by single-crystal X-ray diffraction analysis, is reported for the first time. The liguzinediol crystal may be obtained from 50% ethanol or ethyl acetate. The compound crystallizes in the monoclinic system with the sp. gr. P21/n and the unit cell parameters a = 4.0560(8) Å, b = 12.280(3) Å, c = 8.5370(17) Å, β = 96.93(3)°, Z = 2. The molecule forms S2-symmetric conformation in the crystal. The hydroxyl H atom forms short intermolecular contacts with the neighbouring pyrazine N atom, which forms the weak hydrogen bonds in the crystal. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|