(Last updated May 2026)
Figure . The molecular diagram of 6-methoxycoumarin.
| REFCODE | DAXBIN |
|---|---|
| Formula | C10 H8 O3 |
| Common Name | 6-Methoxy-coumarin |
| IUPAC Systematic Name | 6-Methoxy-chromen-2-one |
| Other Names | |
| CSD Refcodes | DAXBIN01 |
| 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\\6-methoxycoumarin |
| Potential Description | FIT potential |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of 6-methoxycoumarin from previous work.
Table . Crystallographic information for CSD entries for 6-methoxycoumarin. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| DAXBIN01 | Pnma | 0.5 | 6.771 | 6.454 | 18.797 | 90.0 | 90.0 | 90.0 | 1.4245 | None |
Table . Experimental information for CSD entries for 6-methoxycoumarin.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| DAXBIN01 | Pnma | 4.14 | at 203K | 2002 | 10.1021/cg010036i |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.