(Last updated April 2026)
Figure . The molecular diagram of Cyanuric acid.
| REFCODE | CYURAC |
|---|---|
| Formula | C3 H3 N3 O3 |
| Common Name | Cyanuric acid |
| IUPAC Systematic Name | 1,3,5-Triazinane-2,4,6-trione |
| Other Names | |
| CSD Refcodes | CYURAC12 |
| Search Identifier | A |
| Scientist | Tom Lewis |
| Date | 2005 |
| Publication | Lewis, T. C., Tocher, D. A., Price, S. L., Cryst. Growth Des., 5(3), 983-993 (2005) DOI: Open paper (10.1021/cg049661o) |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (3.0) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\cyanuric |
| Potential Description | DMA + adjusted FIT |
| Intramolecular Description | Ab initio MP2 631G |
Figure . Crystal energy landscape of Cyanuric acid from previous work.
Table . Crystallographic information for CSD entries for Cyanuric acid. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| CYURAC03 | C2/n | 0.5 | 7.74900 | 6.736 | 11.912 | 90.0 | 130.69 | 90.0 | 1.8184 | None |
| CYURAC04 | C2/n | 0.5 | 7.74900 | 6.736 | 11.912 | 90.0 | 130.69 | 90.0 | 1.8184 | None |
| CYURAC05 | C2/n | 0.5 | 7.74900 | 6.736 | 11.912 | 90.0 | 130.69 | 90.0 | 1.8184 | None |
| CYURAC10 | C2/n | 0.5 | 7.9 | 6.732 | 11.951 | 90.0 | 130.67000 | 90.0 | 1.7784 | None |
| CYURAC12 | C2/n | 0.5 | 7.74900 | 6.736 | 11.912 | 90.0 | 130.69 | 90.0 | 1.8184 | None |
| CYURAC13 | C2/c | 0.5 | 7.916 | 6.7366 | 9.07800 | 90.0 | 90.737000 | 90.0 | 1.7711 | None |
| CYURAC14 | C2/c | 0.5 | 7.764 | 6.7302 | 9.0256 | 90.0 | 90.095000 | 90.0 | 1.8178 | None |
| CYURAC15 | C2/c | 0.5 | 7.764 | 6.746 | 9.045 | 90.0 | 90.09 | 90.0 | 1.8097 | None |
| CYURAC16 | C2/c | 0.5 | 7.87160 | 6.7431 | 9.07570 | 90.0 | 90.423 | 90.0 | 1.7797 | None |
Table . Experimental information for CSD entries for Cyanuric acid.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| CYURAC03 | C2/n | 3.800 | at 100 K | 1971 | 10.1107/S0567740871001791 |
| CYURAC04 | C2/n | 3.800 | at 100 K | 1978 | 10.1107/S0567740878006160 |
| CYURAC05 | C2/n | 3.25 | at 100 K | 1979 | 10.1107/S0567740879005860 |
| CYURAC10 | C2/n | 4.5 | None | 1971 | 10.1107/S0567740871001791 |
| CYURAC12 | C2/n | 2.7 | at 100 K | 1971 | 10.1107/S0567740871001808 |
| CYURAC13 | C2/c | 3.130 | 293 K | 2015 | 10.1021/cm504200q |
| CYURAC14 | C2/c | 3.790 | 100 K | 2018 | None |
| CYURAC15 | C2/c | 3.08 | 100 K | 2020 | None |
| CYURAC16 | C2/c | 6.02 | 240 K | 2024 | None |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.