# Salt and cocrystal:
\n4-cyanopyridine 4-fluorobenzoic acid
(Last updated February 2026)
Figure . The molecular diagram of 4-cyanopyridine 4-fluorobenzoic acid and 4-cyanopyridinium 4-fluorobenzoate.
| REFCODE | SARKII |
|---|---|
| Formula | C6 H4 N2 - C7 H5 O2 F |
| Common Name | 4-cyanopyridine 4-fluorobenzoic acid |
| IUPAC Systematic Name | 4-cyanopyridine 4-fluorobenzoic acid |
| Other Names | |
| CSD Refcodes | SARKII |
| 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 (2.0.2) |
| Location on S Drive | CHEMISTRY_CPOSS\\SaltOrCocrystal-IntJPharm2011\\cyanopyridinefluorobenzoicacid\\4cyanopyridine-4fluorobenzoicacid |
| Potential Description | DMA(MP2 6-31(d,p)) + FIT + Theresa Beyer OH parameters |
| Intramolecular Description | MP2/6-31G(d,p) |
| REFCODE | UCLSME |
| Formula | C6 H5 N2 - C7 H4 O2 F1 |
| Common Name | 4-cyanopyridinium 4-fluorobenzoate |
| IUPAC Systematic Name | 4-cyanopyridinium 4-fluorobenzoate |
| Other Names | |
| CSD Refcodes | |
| 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 (2.0.2) |
| Location on S Drive | CHEMISTRY_CPOSS\\SaltOrCocrystal-IntJPharm2011\\cyanopyridinefluorobenzoicacid\\4cyanopyridinium-4fluorobenzoate |
| 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 4-cyanopyridine 4-fluorobenzoic acid and 4-cyanopyridinium 4-fluorobenzoate from previous work.
Table . Crystallographic information for CSD entries for 4-cyanopyridine 4-fluorobenzoic acid and 4-cyanopyridinium 4-fluorobenzoate. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| SARKII | C2/c | 1.0 | 12.959 | 7.48520 | 23.703 | 90.0 | 91.632 | 90.0 | 1.4116 | None |
Table . Experimental information for CSD entries for 4-cyanopyridine 4-fluorobenzoic acid and 4-cyanopyridinium 4-fluorobenzoate.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| SARKII | C2/c | 4.01 | 150 K | 2011 | 10.1016/j.ijpharm.2011.03.063 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.