(Last updated June 2026)
Figure . The molecular diagram of Parabanic Acid.
| REFCODE | PARBAC |
|---|---|
| Formula | C3 H2 N2 O3 |
| Common Name | Parabanic acid |
| IUPAC Systematic Name | 2,4,5-trioxoimidazolidine |
| Other Names | |
| CSD Refcodes | PARBAC04 |
| Search Identifier | A |
| Scientist | Tom Lewis |
| Date | 2005 |
| Publication | Lewis TC, Tocher DA, Price SL, 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\\parabanic_acid |
| Potential Description | SCF DMA + adjusted W99 |
| Intramolecular Description | Ab initio MP2 |
Figure . Crystal energy landscape of Parabanic Acid from previous work.
Table . Crystallographic information for CSD entries for Parabanic Acid. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| PARBAC | P21/n | 1.0 | 10.685 | 8.1974 | 5.054 | 90.0 | 92.73 | 90.0 | 1.7133 | None |
| PARBAC02 | P21/n | 1.0 | 10.69 | 8.194 | 5.049 | 90.0 | 92.74 | 90.0 | 1.7149 | None |
| PARBAC03 | P21/n | 1.0 | 10.704 | 8.187 | 4.969 | 90.0 | 92.32 | 90.0 | 1.7412 | None |
| PARBAC04 | P21/n | 1.0 | 10.692 | 8.194 | 5.051 | 90.0 | 92.74 | 90.0 | 1.7139 | None |
| PARBAC11 | P21/n | 1.0 | 10.692 | 8.194 | 5.051 | 90.0 | 92.74 | 90.0 | 1.7139 | None |
Table . Experimental information for CSD entries for Parabanic Acid.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| PARBAC | P21/n | 9.0 | None | 1955 | 10.1107/S0365110X5500056X |
| PARBAC02 | P21/n | 1.7 | None | 1979 | 10.1107/S0567740879005203 |
| PARBAC03 | P21/n | 5.5 | at 123 K | 1988 | 10.1107/S0108768187011108 |
| PARBAC04 | P21/n | 2.2 | None | 1988 | 10.1107/S0108768187011108 |
| PARBAC11 | P21/n | 3.6 | None | 1979 | 10.1107/S0567740879005203 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.