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: Sireenart Surinwong, Timothy J. Prior, Apinpus Rujiwatra
Format: Journal
Published: 2018
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http://cmuir.cmu.ac.th/jspui/handle/6653943832/53269
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spelling th-cmuir.6653943832-532692018-09-04T10:01:55Z Cyanuric acid: Hydrothermal crystal growth and alternative crystallographic description Sireenart Surinwong Timothy J. Prior Apinpus Rujiwatra Biochemistry, Genetics and Molecular Biology Chemistry Materials Science Mathematics Physics and Astronomy 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)Å3, R = 0.0473, Rw = 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 22(8) and R 44(16). The molecule shows partial aromatic character, corresponding to the harmonic-oscillator model of aromaticity index of 0.89. 2018-09-04T09:46:07Z 2018-09-04T09:46:07Z 2014-01-01 Journal 01252526 2-s2.0-84899621441 https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84899621441&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/53269
institution Chiang Mai University
building Chiang Mai University Library
country Thailand
collection CMU Intellectual Repository
topic Biochemistry, Genetics and Molecular Biology
Chemistry
Materials Science
Mathematics
Physics and Astronomy
spellingShingle Biochemistry, Genetics and Molecular Biology
Chemistry
Materials Science
Mathematics
Physics and Astronomy
Sireenart Surinwong
Timothy J. Prior
Apinpus Rujiwatra
Cyanuric acid: Hydrothermal crystal growth and alternative crystallographic description
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 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)Å3, R = 0.0473, Rw = 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 22(8) and R 44(16). The molecule shows partial aromatic character, corresponding to the harmonic-oscillator model of aromaticity index of 0.89.
format Journal
author Sireenart Surinwong
Timothy J. Prior
Apinpus Rujiwatra
author_facet Sireenart Surinwong
Timothy J. Prior
Apinpus Rujiwatra
author_sort Sireenart Surinwong
title Cyanuric acid: Hydrothermal crystal growth and alternative crystallographic description
title_short Cyanuric acid: Hydrothermal crystal growth and alternative crystallographic description
title_full Cyanuric acid: Hydrothermal crystal growth and alternative crystallographic description
title_fullStr Cyanuric acid: Hydrothermal crystal growth and alternative crystallographic description
title_full_unstemmed Cyanuric acid: Hydrothermal crystal growth and alternative crystallographic description
title_sort cyanuric acid: hydrothermal crystal growth and alternative crystallographic description
publishDate 2018
url https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84899621441&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/53269
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