(Last updated April 2026)
Figure . The molecular diagram of Methyl-p-hydroxybenzoate.
| REFCODE | CEBGOF |
|---|---|
| Formula | C8 H8 O3 |
| Common Name | methyl-p-hydroxybenzoate |
| IUPAC Systematic Name | 4-hydroxybenzoic acid methyl ester |
| Other Names | methyl-4-hydroxybenzoate |
| CSD Refcodes | CEBGOF01, CEBGOF04, CEBGOF05, CEBGOF06 |
| Search Identifier | A |
| Scientist | Doris Braun |
| Date | 2010 |
| Publication | No publication planned. |
| Energy model | 2 |
| Study_ID | 10 |
| Programs | Study_ID=0, dmaflex, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\Methyl-p-hydroxybenzoate_dmaflex |
| Potential Description | DMA + FIT |
| Intramolecular Description | SCF |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\Methyl-p-hydroxybenzoate |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of Methyl-p-hydroxybenzoate from previous work. Energy model = A2.
Table . Crystallographic information for CSD entries for Methyl-p-hydroxybenzoate. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| CEBGOF | Cc | 3.0 | 13.568 | 16.959 | 12.458 | 90.0 | 130.1 | 90.0 | 1.3826 | 1-I polymorph |
| CEBGOF01 | Cc | 3.0 | 13.006 | 17.261 | 12.209 | 90.0 | 129.12 | 90.0 | 1.4257 | low temperature polymorph 1-I |
| CEBGOF02 | Cc | 3.0 | 12.9708 | 17.2485 | 10.8428 | 90.0 | 119.26 | 90.0 | 1.4325 | low temperature monoclinic polymorph 1-I |
| CEBGOF03 | P21/c | 1.0 | 4.8186 | 14.63 | 10.239 | 90.0 | 99.81 | 90.0 | 1.4208 | monoclinic P21/c polymorph 1-III |
| CEBGOF04 | P21/c | 1.0 | 5.98450 | 8.3384 | 14.4209 | 90.0 | 96.526 | 90.0 | 1.4134 | 1-112 polymorph |
| CEBGOF05 | Cc | 1.0 | 17.517 | 7.2602 | 6.224 | 90.0 | 107.61 | 90.0 | 1.3394 | 1-107 polymorph |
| CEBGOF06 | P21/c | 1.0 | 4.89800 | 14.698 | 10.3341 | 90.0 | 98.774 | 90.0 | 1.3744 | 1-III polymorph |
Table . Experimental information for CSD entries for Methyl-p-hydroxybenzoate.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| CEBGOF | Cc | 5.4 | None | 1983 | None |
| CEBGOF01 | Cc | 3.300 | at 113 K | 2006 | 10.1021/cg050639k |
| CEBGOF02 | Cc | 4.25 | at 100.00 K | 2008 | 10.1107/S1600536808017327 |
| CEBGOF03 | P21/c | 8.01 | at 100 K | 2011 | 10.1021/cg2001909 |
| CEBGOF04 | P21/c | 4.89 | at 173 K | 2013 | 10.1021/cg301639r |
| CEBGOF05 | Cc | 5.3 | at 298 K | 2013 | 10.1021/cg301639r |
| CEBGOF06 | P21/c | 3.54 | at 298 K | 2013 | 10.1021/cg301639r |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.