(Last updated June 2026)
Figure . The molecular diagram of 2-Chlorobenzoic Acid.
| REFCODE | CLBZAC |
|---|---|
| Formula | C7 H5 O2 Cl1 |
| Common Name | o-Chlorobenzoic acid |
| IUPAC Systematic Name | o-Chlorobenzoic acid |
| Other Names | 2-Chlorobenzoic acid |
| CSD Refcodes | CLBZAC03 |
| Search Identifier | A |
| Scientist | Emiliana D'Oria |
| Date | pre-2010 |
| Publication | Polito M, D'Oria E, Maini L, Karamertzanis PG, Grepioni F, Braga D, Price SL, CrystEngComm 2008, 10, 1848-1854. DOI: Open paper (10.1039/b811438b) |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\Chlorobenzoicacid |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of 2-Chlorobenzoic Acid from previous work.
Table . Crystallographic information for CSD entries for 2-Chlorobenzoic Acid. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| CLBZAC | C2/c | 1.0 | 14.73 | 3.9 | 25.5 | 90.0 | 112.67 | 90.0 | 1.5386 | None |
| CLBZAC01 | C2/c | 1.0 | 14.6382 | 3.8142 | 23.812 | 90.0 | 101.146 | 90.0 | 1.5944 | None |
| CLBZAC02 | C2/c | 1.0 | 14.6363 | 3.7907 | 23.786 | 90.0 | 101.003 | 90.0 | 1.6055 | None |
| CLBZAC03 | C2/c | 1.0 | 14.706 | 3.8955 | 23.968 | 90.0 | 101.413 | 90.0 | 1.5453 | None |
Table . Experimental information for CSD entries for 2-Chlorobenzoic Acid.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| CLBZAC | C2/c | 10.5 | None | 1961 | 10.1107/S0365110X61003673 |
| CLBZAC01 | C2/c | 4.55 | at 150 K | 2008 | 10.1039/b811438b |
| CLBZAC02 | C2/c | 4.21 | 100 K | 2010 | None |
| CLBZAC03 | C2/c | 3.85 | 296 K | 2016 | 10.1021/jacs.6b05118 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.