(Last updated June 2026)
Figure . The molecular diagram of Quinolinium Fumarate.
| REFCODE | RABYID |
|---|---|
| Formula | C9 H8 N1 - C4 H4 O4 |
| Common Name | Quinolinium fumarate |
| IUPAC Systematic Name | Quinolin-1-ium (2E)-3-carboxyprop-2-enoate |
| Other Names | Similar to Blind Test molecule XIX |
| CSD Refcodes | RABYID |
| Search Identifier | A |
| Scientist | Sharmarke Mohamed |
| Date | 2010 |
| Publication | No publication planned. |
| Energy model | 1 |
| Study_ID | 20 |
| Programs | Rigid CrystalPredictor, DMACRYS (2.0.2) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\BlindTest2010\\XATJOT\\RABYID |
| Potential Description | Crystal predictor + DMA + FIT with Coombes H(N) and Beyer H(O) parameters |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of Quinolinium Fumarate from previous work.
Table . Crystallographic information for CSD entries for Quinolinium Fumarate. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| RABYID | Pca21 | 1.0 | 22.5838 | 3.72730 | 13.2912 | 90.0 | 90.0 | 90.0 | 1.4558 | None |
Table . Experimental information for CSD entries for Quinolinium Fumarate.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| RABYID | Pca21 | 3.41 | at 140 K | 2003 | 10.1107/S1600536803004446 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.