Cyanuric acid: Hydrothermal crystal growth and alternative crystallographic description
Single crystals of cyanuric acid in its keto form have been hydrothermally synthesized via the acid catalyzed hydrolysis of 1, 3,5-triazine-2,4,6-triamine triacetic acid. The crystal structure has been solved and refined in a standard monoclinic C2/c which is better preferable than the commonly empl...
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| Main Authors: | , , |
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| Format: | Journal |
| Published: |
2018
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| Online Access: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84899621441&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/45469 |
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| Institution: | Chiang Mai University |
| Summary: | Single crystals of cyanuric acid in its keto form have been hydrothermally synthesized via the acid catalyzed hydrolysis of 1, 3,5-triazine-2,4,6-triamine triacetic acid. The crystal structure has been solved and refined in a standard monoclinic C2/c which is better preferable than the commonly employed C2/n with b > > 90. The original cell in C2/c are a = 7.9070(13)Å, b = 6.7347(14)Å, c = 9.0788(15)Å, b = 90.794(14)°, V = 483.41(15)Å 3 , R = 0.0473, R w = 0.1288, S = 1.073, and the transformed C2/n cell are a = 7.907Å, b = 6.7347Å, c = 11.9564Å, b =130.602°. Relationships between different crystallographic settings are discussed. The molecular motifs are assembled into two-dimensional layer in (10-1) plane by the 2 4 N-H···O type of hydrogen bonding interactions with graph sets R 2 2 (8) and R 4 4 (16). The molecule shows partial aromatic character, corresponding to the harmonic-oscillator model of aromaticity index of 0.89. |
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