(Last updated December 2025)
Figure . The molecular diagrams of the 2-fluorobenzamide.
| REFCODE | BIGSUF |
|---|---|
| Formula | C7 H6 N1 O1 F1 |
| Common Name | 2-Fluorobenzamide |
| IUPAC Systematic Name | 2-Fluorobenzamide |
| Other Names | 2-Fluorobenzamide |
| CSD Refcodes | BIGSUF01 |
| Search Identifier | A |
| Scientist | Anastasia Ntantou |
| Date | pre-2010 |
| Publication | Masters thesis |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\2-fluorobenzamide\\opt |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
| Search Identifier | B |
| Scientist | Anastasia Ntantou |
| Date | pre-2010 |
| Publication | Masters thesis |
| Energy model | 1 |
| Study_ID | 1 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\2-fluorobenzamide\\con_opt |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of 2-fluorobenzamide from previous work. Left: from Study_ID=1. Right: from Study_ID=1.
Table . Crystallographic information for CSD entries for 2-fluorobenzamide. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| BIGSUF | P21/a | 2.0 | 12.695 | 20.534 | 5.133 | 90.0 | 97.8 | 90.0 | 1.3941 | None |
| BIGSUF01 | P21/c | 2 | 5.126(<1) | 20.368(1) | 12.322(1) | 90 | 96.69(<1) | 90 | 1.447 | None |
Table . Experimental information for CSD entries for 2-fluorobenzamide.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| BIGSUF | P21/a | 7.60 | None | 1982 | 10.1246/bcsj.55.1643 |
| BIGSUF01 | P21/c | 4.39 | 100 | 2024 | 10.1021/acs.cgd.4c00517 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.