Crystal Structure of Liguzinediol, 2,5-Dimethylol-3,6-dimethylpyrazine
Journal Article
·
· Crystallography Reports
- Nanjing University of Chinese Medicine, School of Pharmacy (China)
The 2,5-dimethylol-3,6-dimethylpyrazine, C{sub 8}H{sub 12}N{sub 2}O{sub 2}, 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. P2{sub 1}/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 S{sub 2}-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.
- OSTI ID:
- 22758202
- Journal Information:
- Crystallography Reports, Journal Name: Crystallography Reports Journal Issue: 5 Vol. 63; ISSN 1063-7745; ISSN CYSTE3
- Country of Publication:
- United States
- Language:
- English
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