(Last updated May 2026)
Figure . The molecular diagram of Urazole.
| REFCODE | KOXRIY |
|---|---|
| Formula | C2 H3 N3 O2 |
| Common Name | Urazole |
| IUPAC Systematic Name | [1,2,4]Triazolidine-3,5-dione |
| Other Names | |
| CSD Refcodes | KOXRIY |
| 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\\urazole |
| Potential Description | DMA + adjusted FIT |
| Intramolecular Description | Ab initio MP2 631G |
Figure . Crystal energy landscape of Urazole from previous work.
Table . Crystallographic information for CSD entries for Urazole. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| KOXRIY | P21/n | 1.0 | 3.462 | 9.513 | 10.9950 | 90.0 | 95.06 | 90.0 | 1.8610 | None |
Table . Experimental information for CSD entries for Urazole.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| KOXRIY | P21/n | 3.6 | at 105 K | 1992 | 10.1107/S0108270191013525 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.