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- Title
Crystal Structure of Liguzinediol, 2,5-Dimethylol-3,6-dimethylpyrazine.
- Authors
Zhu, Haohao; Qian, Chengbo; Cai, Jianguo; Shen, Minzhe; Li, Wei; Liu, Jian; Wang, Tianlin; Wen, Hongmei
- 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.
- Subjects
CRYSTAL structure; PYRAZINES; HEART failure treatment; X-ray diffraction; ETHYL acetate
- Publication
Crystallography Reports, 2018, Vol 63, Issue 5, p749
- ISSN
1063-7745
- Publication type
Article
- DOI
10.1134/S1063774518050152