(Last updated May 2026)
Figure . The molecular diagram of 6-methyluracil.
| REFCODE | CEWVOP |
|---|---|
| Formula | C5 H6 N2 O2 |
| Common Name | 6-methyluracil |
| IUPAC Systematic Name | 2,4-dihydroxy-6-methylpyrimidine |
| Other Names | |
| CSD Refcodes | CEWVOP01, CEWVOP03, CEWVOP06 |
| Search Identifier | A |
| Scientist | Tom Lewis |
| Date | 2004 |
| Publication | No publication planned. |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (3.0) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\6-methyluracil |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of 6-methyluracil from previous work.
Form III (CEWVOP05) overlays 20 out of 20 molecules with Form I (CEWVOP01).
Table . Crystallographic information for CSD entries for 6-methyluracil. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| CEWVOP01 | P21/c | 1.0 | 4.5137 | 10.9888 | 11.7224 | 90.0 | 97.554 | 90.0 | 1.4532 | monoclinic P21/c form I |
| CEWVOP02 | C2/c | 1.0 | 20.5830 | 3.9091 | 14.804 | 90.0 | 110.88 | 90.0 | 1.5053 | monoclinic C2/c form II |
| CEWVOP03 | C2/c | 1.0 | 20.572 | 3.90520 | 14.811 | 90.0 | 110.95 | 90.0 | 1.5076 | monoclinic C2/c form II |
| CEWVOP04 | P21/c | 1.0 | 4.5194 | 10.9811 | 11.7294 | 90.0 | 97.75 | 90.0 | 1.4522 | monoclinic P21/c form I |
| CEWVOP05 | P21/c | 1.0 | 4.6081 | 10.767 | 11.881 | 90.0 | 99.76 | 90.0 | 1.4418 | monoclinic P21/c form III |
| CEWVOP06 | P21/c | 2.0 | 9.38740 | 11.6695 | 11.3883 | 90.0 | 112.516 | 90.0 | 1.4537 | monoclinic P21/c form IV |
| CEWVOP07 | C2/c | 1.0 | 20.537 | 3.9108 | 14.801 | 90.0 | 110.97200 | 90.0 | 1.5092 | monoclinic C2/c form II |
Table . Experimental information for CSD entries for 6-methyluracil.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| CEWVOP01 | P21/c | 4.0 | at 297 K | 1988 | 10.1107/S0108767388000315 |
| CEWVOP02 | C2/c | 8.5 | at 295 K | 1993 | None |
| CEWVOP03 | C2/c | 4.83 | 298 K | 2019 | 10.1107/S2414314619008617 |
| CEWVOP04 | P21/c | 7.149 | 293.1 K | 2023 | 10.1021/acsomega.3c01231 |
| CEWVOP05 | P21/c | 8.16 | 293.1 K | 2023 | 10.1021/acsomega.3c01231 |
| CEWVOP06 | P21/c | 8.05 | 293.1 K | 2023 | 10.1021/acsomega.3c01231 |
| CEWVOP07 | C2/c | 8.53 | 293.1 K | 2023 | 10.1021/acsomega.3c01231 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.