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Crystal Structure of Liguzinediol, 2,5-Dimethylol-3,6-dimethylpyrazine

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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.

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Authors and Affiliations

  1. School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing, Jiangsu, 210023, China

    Haohao Zhu, Chengbo Qian, Jianguo Cai, Minzhe Shen, Wei Li, Jian Liu, Tianlin Wang & Hongmei Wen

  2. Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, Nanjing, Jiangsu, 210023, China

    Wei Li

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  1. Haohao Zhu
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  2. Chengbo Qian
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  3. Jianguo Cai
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  4. Minzhe Shen
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  5. Wei Li
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  6. Jian Liu
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  7. Tianlin Wang
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  8. Hongmei Wen
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Correspondence to Wei Li.

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Zhu, H., Qian, C., Cai, J. et al. Crystal Structure of Liguzinediol, 2,5-Dimethylol-3,6-dimethylpyrazine. Crystallogr. Rep. 63, 749–752 (2018). https://doi.org/10.1134/S1063774518050152

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  • DOI: https://doi.org/10.1134/S1063774518050152

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