(Last updated February 2026)
Figure . The molecular diagram of 5-fluoroisatin.
| REFCODE | WOCGOK |
|---|---|
| Formula | C8 H4 N1 O2 F1 |
| Common Name | 5-Fluoroisatin |
| IUPAC Systematic Name | 5-Fluoroindoline-2,3-dione |
| Other Names | |
| CSD Refcodes | WOCGOK01, WOCGOK02 |
| Search Identifier | A |
| Scientist | Sharmarke Mohamed (Weijia Zhu, L Price) |
| Date | 2008 |
| Publication | Mohamed S, Barnett SA, Tocher DA, Shankland K, Leech CK, Price SL 2008. CrystEngComm 10,399-404. DOI: Open paper (10.1039/B714566G) |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\5-fluoroisatin |
| Potential Description | DMA + FIT + Williams F parameters |
| Intramolecular Description | MP2/aug-cc-pVDZ |
Figure . Crystal energy landscape of 5-fluoroisatin from previous work.
Table . Crystallographic information for CSD entries for 5-fluoroisatin. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| WOCGOK | P21/c | 1.0 | 3.789 | 12.2000 | 14.99 | 90.0 | 94.41 | 90.0 | 1.5874 | None |
| WOCGOK01 | P21/c | 1.0 | 3.71040 | 12.1407 | 14.766 | 90.0 | 93.397 | 90.0 | 1.6517 | Form 1 |
| WOCGOK02 | P21/n | 1.0 | 4.8425 | 24.45 | 5.78180 | 90.0 | 99.096 | 90.0 | 1.6225 | Form 2 |
Table . Experimental information for CSD entries for 5-fluoroisatin.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| WOCGOK | P21/c | 5.3 | None | 2000 | 10.1107/S0108270100010568 |
| WOCGOK01 | P21/c | 5.99 | 100 K | 2020 | 10.1039/C9CE01659G |
| WOCGOK02 | P21/n | 6.75 | 100 K | 2020 | 10.1039/C9CE01659G |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.