(Last updated January 2026)
Figure . The molecular diagrams of the aminobenzamides.
| REFCODE | JIXCIC |
|---|---|
| Formula | C7 H8 N2 O1 |
| Common Name | 2-aminobenzamide |
| IUPAC Systematic Name | 2-aminobenzamide |
| Other Names | 2-aminobenzamide |
| CSD Refcodes | JIXCIC |
| 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-aminobenzamide |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
| REFCODE | UCLANA |
| Formula | C7 H8 N2 O1 |
| Common Name | 3-aminobenzamide |
| IUPAC Systematic Name | 3-aminobenzamide |
| Other Names | 3-aminobenzamide |
| CSD Refcodes | |
| 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\\3-aminobenzamide |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
| REFCODE | AMBZAM |
| Formula | C7 H8 N2 O1 |
| Common Name | 4-aminobenzamide |
| IUPAC Systematic Name | 4-aminobenzamide |
| Other Names | 4-aminobenzamide |
| CSD Refcodes | AMBZAM11 |
| 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\\4-aminobenzamide |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscapes of the aminobenzamides from previous work. Left: 2-aminobenzamide. Middle: 3-aminobenzamide. Right: 4-aminobenzamide.
Table . Crystallographic information for CSD entries for aminobenzamides.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| JIXCIC | P21/c | 1.0 | 14.173 | 6.327 | 7.803 | 90.0 | 97.98 | 90.0 | 1.3050 | None |
| AMBZAM10 | P21 | 1.0 | 8.42 | 5.29 | 7.91 | 90.0 | 108.0 | 90.0 | 1.3494 | None |
| AMBZAM11 | P21 | 1.0 | 7.81330 | 5.2554 | 8.4547 | 90.0 | 108.798 | 90.0 | 1.3758 | None |
| AMBZAM12 | P21 | 1.0 | 7.80110 | 5.2423 | 8.4445 | 90.0 | 108.784 | 90.0 | 1.3829 | None |
Table . Experimental information for CSD entries for aminobenzamides.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| JIXCIC | P21/c | 5.8 | None | 1991 | 10.1107/S0108270191004067 |
| AMBZAM10 | P21 | 7.600 | None | 1967 | None |
| AMBZAM11 | P21 | 3.16 | 120 K | 2018 | 10.1021/acs.cgd.8b00711 |
| AMBZAM12 | P21 | 6.0 | 100.0 K | 2018 | 10.1021/acs.cgd.8b01214 |
No ZIP datasets are currently available for this case.