(Last updated May 2026)
Figure . The molecular diagram of 3-Oxauracil.
| REFCODE | QARVOV |
|---|---|
| Formula | C4 H3 N1 O3 |
| Common Name | 3-Oxauracil |
| IUPAC Systematic Name | 3H-[1,3]Oxazine-2,6-dione |
| Other Names | |
| CSD Refcodes | QARVOV |
| Search Identifier | A |
| Scientist | Tom Lewis |
| Date | 2005 |
| Publication | Copley, R. C. B., Deprez, L. S., Lewis, T. C., Price, S. L., CrystEngComm, 7(69), 421-428 (2005) DOI: Open paper (10.1039/b504756k) |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (3.0) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\3-oxauracil |
| Potential Description | FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of 3-Oxauracil from previous work.
Table . Crystallographic information for CSD entries for 3-Oxauracil. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| QARVOV | P21/c | 1.0 | 7.7407 | 5.54050 | 10.4926 | 90.0 | 103.64300 | 90.0 | 1.7174 | None |
Table . Experimental information for CSD entries for 3-Oxauracil.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| QARVOV | P21/c | 2.99 | at 150 K | 2005 | 10.1039/b504756k |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.