(Last updated December 2025)
Figure . The molecular diagrams of 2-bromobenzamide.
| REFCODE | BRBZAO |
|---|---|
| Formula | C7 H6 N1 O1 Br1 |
| Common Name | o-bromobenzamide |
| IUPAC Systematic Name | 2-bromobenzamide |
| Other Names | 2-bromobenzamide |
| CSD Refcodes | BRBZAO01 |
| 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-bromobenzamide |
| Potential Description | DMA + FIT + isotropic BR from blind test |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of 2-bromobenzamide from previous work. Study_ID=0.
Table . Crystallographic information for CSD entries for 2-bromobenzamide. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| BRBZAO | P21/a | 1.0 | 13.92 | 11.43 | 5.02000 | 90.0 | 107.0 | 90.0 | 1.7394 | None |
| BRBZAO01 | P21/n | 1.0 | 5.0263 | 10.9683 | 13.3113 | 90.0 | 93.465 | 90.0 | 1.8138 | None |
| BRBZAO02 | P21/n | 1.o | 5.024(<1) | 11.402(1) | 13.313(1) | 90 | 93.76(<1) | 90 | 1.746 | None |
Table . Experimental information for CSD entries for XXX.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| BRBZAO | P21/a | 16.0 | None | 1972 | None |
| BRBZAO01 | P21/n | 1.97 | 100 K | 2015 | 10.1039/C5CY00627A |
| BRBZAO02 | p21/N | 2.69 | 296 k | 2021 | 10.1021/acs.cgd.0c01119 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.