(Last updated May 2026)
Figure . The molecular diagram of Indomethacin.
| REFCODE | INDMET |
|---|---|
| Formula | C19 H16 N1 O4 Cl1 |
| Common Name | Indomethacin |
| IUPAC Systematic Name | 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid |
| Other Names | |
| CSD Refcodes | INDMET05, INDMET02, INDMET07, INDMET09, INDMET10 |
| Search Identifier | A |
| Scientist | Doris Braun |
| Date | 2013 |
| Publication | An experimental paper - DOI 10.1039/c5cp03880d |
| Energy model | 3 |
| Study_ID | 30 |
| Programs | Study_ID=10, DMACRYS (2.0.4) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\Indomethacin\\PCM |
| Potential Description | GDMA2.2(PCMdielectric3(PBE0/6-31G(d,p))) + FIT |
| Intramolecular Description | PBE0/6-31G(d,p), epsilon=3 |
| Energy model | 2 |
| Study_ID | 10 |
| Programs | Study_ID=20, CrystalOptimizer, DMACRYS (2.0.4) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\Indomethacin\\CrystalOptimizer |
| Potential Description | GDMA2.2(PBE0/6-31G(d,p)) + FIT |
| Intramolecular Description | PBE0/6-31G(d,p) |
| Energy model | 1 |
| Study_ID | 20 |
| Programs | CrystalPredictor (1), DMAflex-Q, DMACRYS (2.0.4) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\Indomethacin\\DMAflex-Q |
| Potential Description | DMAflex-Quick, rotated charge densities from PBE0/6-31G(d,p) + FIT |
| Intramolecular Description | B3LYP/6-31G(d,p) |
Figure . Crystal energy landscape of Indomethacin from previous work.
Table . Crystallographic information for CSD entries for Indomethacin. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| INDMET | P-1 | 1.0 | 9.295 | 10.969 | 9.742 | 69.38 | 110.79 | 92.78 | 1.3724 | gamma polymorph |
| INDMET01 | P-1 | 1.0 | 9.31 | 10.81 | 11.0 | 105.77 | 93.0 | 122.48 | 1.3634 | gamma polymorph |
| INDMET02 | P21 | 3.0 | 5.46160 | 25.3100 | 18.152 | 90.0 | 94.38 | 90.0 | 1.4248 | metastable alpha polymorph |
| INDMET03 | P-1 | 1.0 | 9.236 | 9.62000 | 10.887 | 69.897 | 87.328 | 69.501 | 1.4014 | gamma polymorph |
| INDMET04 | P21 | 3.0 | 5.46090 | 25.2285 | 18.1402 | 90.0 | 94.361 | 90.0 | 1.4304 | alpha polymorph |
| INDMET05 | P-1 | 1.0 | 9.21730 | 9.606 | 10.8436 | 69.959 | 87.197 | 69.501 | 1.4110 | gamma polymorph |
| INDMET06 | P-1 | 1.0 | 9.23800 | 9.62460 | 10.8767 | 69.854 | 87.248 | 69.465 | 1.4023 | gamma polymorph |
| INDMET07 | P21 | 2.0 | 18.3195 | 5.09993 | 18.5386 | 90.0 | 95.771 | 90.0 | 1.3790 | delta polymorph |
| INDMET08 | P21 | 2.0 | 18.3 | 5.12 | 18.56 | 90.0 | 95.8 | 90.0 | 1.3736 | delta polymorph |
| INDMET09 | Cc | 2.0 | 4.79 | 57.0 | 12.91 | 90.0 | 99.57 | 90.0 | 1.3674 | theta polymorph |
| INDMET10 | C2/c | 2.0 | 43.7 | 5.19 | 33.43 | 90.0 | 100.73 | 90.0 | 1.2760 | sigma polymorph |
| INDMET11 | P-1 | 1.0 | 9.24110 | 9.62600 | 10.8794 | 69.803 | 87.297 | 69.512 | 1.4015 | gamma polymorph |
| INDMET12 | P-1 | 1.0 | 9.2369 | 9.6311 | 10.8758 | 69.863 | 87.254 | 69.441 | 1.4018 | gamma polymorph |
| INDMET13 | P-1 | 1.0 | 9.24880 | 9.62450 | 10.877 | 69.829 | 87.251 | 69.42 | 1.4014 | gamma polymorph |
Table . Experimental information for CSD entries for Indomethacin.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| INDMET | P-1 | 5.9 | None | 1972 | 10.1021/ja00759a047 |
| INDMET01 | P-1 | 11.1 | None | 1976 | None |
| INDMET02 | P21 | 5.4 | at 203 K | 2002 | 10.1021/ja017662o |
| INDMET03 | P-1 | 4.43 | at 120 K | 2003 | 10.1107/S160053680301290X |
| INDMET04 | P21 | 6.49 | at 193 K | 2011 | 10.1021/ml100292y |
| INDMET05 | P-1 | 3.300 | 100.0 K | 2020 | 10.1039/D0CC03157G |
| INDMET06 | P-1 | 2.989 | 150 K | 2021 | None |
| INDMET07 | P21 | 3.56 | 295 K | 2021 | powder, 10.1016/j.ijpharm.2021.121067 |
| INDMET08 | P21 | 17.15 | 293 K | 2022 | electron diffraction, 10.1002/anie.202114985 |
| INDMET09 | Cc | 19.13 | 293 K | 2022 | electron diffraction, 10.1002/anie.202114985 |
| INDMET10 | C2/c | 28.22 | 87 K | 2024 | electron powder diffraction, 10.1107/S2052252524008121 |
| INDMET11 | P-1 | 2.92 | 150 K | 2024 | 10.1021/acs.jchemed.4c00797 |
| INDMET12 | P-1 | 3.209 | 150 K | 2024 | 10.1021/acs.jchemed.4c00797 |
| INDMET13 | P-1 | 3.070 | 150 K | 2024 | 10.1021/acs.jchemed.4c00797 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.