(Last updated April 2026)
Figure . The molecular diagram of 4-nitrophenyl acetic acid and 4-aminobenzoic acid.
| REFCODE | RILJOL |
|---|---|
| Formula | C7 H7 N1 O2 - C8 H7 N1 O4 |
| Common Name | 4-aminobenzoic acid - 4-nitrophenylacetic acid |
| IUPAC Systematic Name | 4-aminobenzoic acid - 4-nitrophenylacetic acid |
| Other Names | |
| CSD Refcodes | RILJOL |
| Search Identifier | A |
| Scientist | Nizar Issa / Panos Karamertzanis |
| Date | 2009 |
| Publication | Karamertzanis PG, Kazantsev AV, Issa N, Welch GWA, Adjiman CS, Pantelides CC, Price SL 2009. J Chem Theory Comput 5, 1432-1448. DOI: Open paper (10.1021/ct8004326) |
| Energy model | 2 |
| Study_ID | 12 |
| Programs | Study_ID=11, DMAflex, DMACRYS (1.1.0) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\aminobenzoic_acid-4-nitrophenylacetic_acid_will_full |
| Potential Description | DMAflex DMA + Williams |
| Intramolecular Description | SCF |
| Energy model | 1 |
| Study_ID | 11 |
| Programs | Flexible CrystalPredictor (1), DMAflex-Q, DMAflex (single iteration), DMACRYS (1.1.0) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\aminobenzoic_acid-4-nitrophenylacetic_acid_will_sp |
| Potential Description | Single Point DMAflex DMA + Williams |
| Intramolecular Description | SCF |
| Energy model | 3 |
| Study_ID | 10 |
| Programs | Study_ID=11 or 12 (not sure), DMAREL (4.3.6) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\aminobenzoic_acid-4-nitrophenylacetic_acid_fit |
| Potential Description | DMAflex DMA + FIT |
| Intramolecular Description | SCF |
Figure . Crystal energy landscape of the 4-nitrophenyl acetic acid and 4-aminobenzoic acid cocrystal from previous work.
Table . Crystallographic information for CSD entries for the 4-nitrophenyl acetic acid and 4-aminobenzoic acid cocrystal. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| RILJOL | P21/a | 1.0 | 15.272 | 5.91 | 17.194 | 90.0 | 108.79000 | 90.0 | 1.4389 | None |
Table . Experimental information for CSD entries for the 4-nitrophenyl acetic acid and 4-aminobenzoic acid cocrystal.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| RILJOL | P21/a | 5.75 | None | 1997 | 10.1007/BF02575979 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.