(Last updated June 2026)
Figure . The molecular diagram of Salsalate.
| REFCODE | WOQDAH |
|---|---|
| Formula | C14 H10 O5 |
| Common Name | Salicyl salicylate |
| IUPAC Systematic Name | 2-Hydroxybenzoic acid 2-carboxyphenyl ester |
| Other Names | Salsalate |
| CSD Refcodes | WOQDAH |
| Search Identifier | A |
| Scientist | Matthew Habgood |
| Date | 2013 |
| Publication | Habgood M, Lancaster RW, Gateshki M, Kenwright AM 2013. Cryst Growth Des 13, 1771-1779. DOI: Open paper (10.1021/cg400109j) |
| Energy model | 2 |
| Study_ID | 30 |
| Programs | Study_ID=10, DMACRYS (2.0.4) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\Salsalate\\PCM |
| Potential Description | GDMA2.2(PCMdielectric3(PBE0/6-31G(d,p))) + FIT |
| Intramolecular Description | PCMdielectric=3(PBE0/6-31G(d,p)) |
| Energy model | 1 |
| Study_ID | 10 |
| Programs | Rigid CrystalPredictor (v1.6), DMAFEX-quick, CrystalOptimizer (v2.1), DMACRYS (v2.0.4) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\Salsalate\\CrystOpt |
| Potential Description | CrystalOptimizer with 6 degrees of freedom, GDMA2.2(PBE0/6-31G(d,p)) + FIT |
| Intramolecular Description | HF/6-31G(d,p) |
Figure . Crystal energy landscape of Salsalate from previous work. Energy model A2.
Table . Crystallographic information for CSD entries for Salsalate. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| WOQDAH | Cc | 2.0 | 12.965 | 12.9820 | 15.5300 | 90.0 | 114.039 | 90.0 | 1.4369 | None |
| WOQDAH01 | Fdd2 | 1.0 | 12.961 | 28.323 | 12.941 | 90.0 | 90.0 | 90.0 | 1.4441 | None |
Table . Experimental information for CSD entries for Salsalate.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| WOQDAH | Cc | 3.41 | at 150 K | 2000 | 10.1002/1521-3773(20001016)39:20<3601::AID-ANIE3601>3.3.CO;2-I |
| WOQDAH01 | Fdd2 | 3.92 | at 150 K | 2000 | 10.1016/S0378-5173(00)00495-6 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.