(Last updated May 2026)
Figure . The molecular diagram of 7-hydroxycoumarin.
| REFCODE | DETFOX |
|---|---|
| Formula | C9 H6 O3 |
| Common Name | 7-hydroxycoumarin |
| IUPAC Systematic Name | 7-hydroxy-chrmoen-2-one |
| Other Names | Umbelliferone |
| CSD Refcodes | DETFOX |
| Search Identifier | A |
| Scientist | Ashley Hulme |
| Date | pre-2010 |
| Publication | No publication planned. |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\7-hydroxycoumarin |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of 7-hydroxycoumarin from previous work.
Table . Crystallographic information for CSD entries for 7-hydroxycoumarin. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| DETFOX | P21/c | 1.0 | 3.892 | 11.022 | 16.722 | 90.0 | 90.58 | 90.0 | 1.5014 | None |
| DETFOX01 | P21/c | 1.0 | 3.9034 | 11.007 | 16.707 | 90.0 | 90.333 | 90.0 | 1.5003 | None |
| DETFOX02 | P21/c | 1.0 | 3.8515 | 11.0399 | 16.7731 | 90.0 | 90.489 | 90.0 | 1.5101 | None |
Table . Experimental information for CSD entries for 7-hydroxycoumarin.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| DETFOX | P21/c | 4.2 | None | 1985 | 10.1107/S0108270185009453 |
| DETFOX01 | P21/c | 5.66 | at 293 K | 2007 | None |
| DETFOX02 | P21/c | 5.7 | 173.2 K | 2024 | 10.1039/D4ME00006D |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.