# Salt and cocrystal:
\npyridine isophthalic acid
(Last updated February 2026)
Figure . The molecular diagram of pyridine isophthalic acid and pyridinium isophthalate.
| REFCODE | IYUPEX |
|---|---|
| Formula | C5 H5 N1 - C8 H6 O4 |
| Common Name | pyridine isophthalic acid cocrystal |
| IUPAC Systematic Name | pyridine isophthalic acid cocrystal |
| Other Names | |
| CSD Refcodes | IYUPEX |
| Search Identifier | A |
| Scientist | Sharmarke Mohamed |
| Date | 2011 |
| Publication | Mohamed S, Tocher DA, Price SL 2011. Int J Pharm 218 DOI: Open paper (10.1016/j.ijpharm.2011.03.063) |
| Energy model | 1 |
| Study_ID | 20 |
| Programs | Rigid CrystalPredictor, DMACRYS (2.0.0) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\SaltOrCocrystal-IntJPharm2011\\pyridineisophthalicacid\\pyridine-isophthalicacid |
| Potential Description | DMA(MP2 6-31(d,p)) + FIT + Theresa Beyer OH parameters |
| Intramolecular Description | MP2/6-31G(d,p) |
| REFCODE | IYUPEX |
| Formula | C5 H5 N1 - C8 H6 O4 |
| Common Name | pyridinium isophthalate |
| IUPAC Systematic Name | pyridinium isophthalate |
| Other Names | |
| CSD Refcodes | IYUPEX |
| Search Identifier | A |
| Scientist | Sharmarke Mohamed |
| Date | 2011 |
| Publication | Mohamed S, Tocher DA, Price SL 2011. Int J Pharm 218 DOI: Open paper (10.1016/j.ijpharm.2011.03.063) |
| Energy model | 1 |
| Study_ID | 21 |
| Programs | Rigid CrystalPredictor, DMACRYS (2.0.0) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\SaltOrCocrystal-IntJPharm2011\\pyridineisophthalicacid\\pyridiniumisophthalate |
| Potential Description | DMA(MP2 6-31(d,p)) + FIT + Theresa Beyer OH parameters |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of pyridine isophthalic acid and pyridinium isophthalate from previous work.
Table . Crystallographic information for CSD entries for pyridine isophthalic acid and pyridinium isophthalate. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| IYUPEX | P21/c | 1.0 | 3.79690 | 17.2355 | 17.2272 | 90.0 | 90.374 | 90.0 | 1.4448 | None |
Table . Experimental information for CSD entries for pyridine isophthalic acid and pyridinium isophthalate.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| IYUPEX | P21/c | 3.4 | at 150 K | 2004 | 10.1039/b404563g |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.