(Last updated January 2026)
Figure . The molecular diagram of Methyl anthranilate.
| REFCODE | FASMEV |
|---|---|
| Formula | C8 O2 N1 H9 |
| Common Name | Methyl anthranilate |
| IUPAC Systematic Name | Methyl 2-aminobenzoate |
| Other Names | |
| CSD Refcodes | FASMEV |
| Search Identifier | A |
| Scientist | Sally Price |
| Date | January 2021 |
| Publication | Hunnisett LM, et al, Acta Cryst B, 2024, 80(6), 517-547 DOI: Open paper (10.1107/S2052520624007492) |
| Energy model | 1 |
| Study_ID | 10 |
| Programs | CrystalPredictor (2.4.3), CrystalOptimizer (2.4.7.1), DMACRYS (2.3.1.1) |
| Location on S Drive | CHEMISTRY_CPOSS\\BlindTest2020-2022\\XXIX\\Z1 |
| Potential Description | CrystalOptimizer with GDMA2.2(PBE0/6-31G(d,p)) + FIT |
| Intramolecular Description | PBE0/6-31G(d,p) |
Figure . Crystal energy landscape of Methyl anthranilate from previous work.
Table . Crystallographic information for CSD entries for Methyl anthranilate. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| FASMEV | P21/c | 3.0 | 25.1585 | 9.983 | 9.3583 | 90.0 | 93.258 | 90.0 | 1.2836 | None |
Table . Experimental information for CSD entries for Methyl anthranilate.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| FASMEV | P21/c | 4.82 | 273.9 K | 2022 | None |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.