(Last updated March 2026)
Figure . The molecular diagram of otolic acid.
| REFCODE | OTOLIC |
|---|---|
| Formula | C8 H8 O2 |
| Common Name | otolic acid |
| IUPAC Systematic Name | 2-methyl benzoic acid |
| Other Names | o-Methyl benzoic acid; o-Toluic acid; 2-Toluic acid |
| CSD Refcodes | OTOLIC02 |
| Search Identifier | A |
| Scientist | Panos Karamertzanis |
| Date | 2008 |
| Publication | No publication planned (component of Blind Test XV) |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\otolic_acid |
| Potential Description | MP2 6-31G(d,p) DMA(1.1)+ fit.pots |
| Intramolecular Description | MP2 6-31G(d,p) |
| Search Identifier | B |
| Scientist | Panos Karamertzanis |
| Date | 2008 |
| Publication | No publication planned (component of Blind Test XV) |
| Energy model | 1 |
| Study_ID | 11 |
| Programs | CrystalPredictor, dmaflex, DMAREL (4.3.6) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\otolic_acid_dmafl |
| Potential Description | DMAflex DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of otolic acid from previous work. Otolic acid (Energy model B1).
Table . Crystallographic information for CSD entries for amino pyrimidine and otolic acid. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| OTOLIC01 | P21/n | 1.0 | 4.8335 | 19.384 | 7.82980 | 90.0 | 105.99000 | 90.0 | 1.2823 | Form I |
| OTOLIC02 | P21/n | 1.0 | 4.831 | 19.42 | 7.76080 | 90.0 | 106.87 | 90.0 | 1.2978 | Form I |
| OTOLIC04 | P21/n | 6.0 | 7.58860 | 68.3842 | 7.7121 | 90.0 | 94.396 | 90.0 | 1.3597 | Form IV |
Table . Experimental information for CSD entries for amino pyrimidine and otolic acid.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| OTOLIC01 | P21/n | 10.21 | at 298 K | 2008 | 10.1021/cg800371j |
| OTOLIC02 | P21/n | 5.26 | at 293 K | 2008 | 10.1039/b811438b |
| OTOLIC04 | P21/n | 3.47 | at 90 K | 2014 | None |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.