(Last updated December 2025)
Figure . The molecular diagram of Amoxapine.
| REFCODE | AMOXAP |
|---|---|
| Formula | C17 H16 N3 O1 Cl1 |
| Common Name | Amoxapine |
| IUPAC Systematic Name | 2-Chloro-11-(1-piperazinyl)-dibenz(b,f)(1,4)oxazepine |
| Other Names | |
| CSD Refcodes | AMOXAP |
| Search Identifier | B |
| Scientist | Louise Price |
| Date | 2015 |
| Publication | No publication planned. |
| Energy model | 2 |
| Study_ID | 10 |
| Programs | Study_id=20, CrystalOptimizer (2.3), DMACRYS (2.0.8) |
| Location on S Drive | CHEMISTRY_CPOSS\\Olanzapine\\Amoxapine\\Amox-CO |
| Potential Description | CrystalOptimizer PBE1PBE/6-31G(d,p) intramolecular + GDMA2.2(PBE1PBE/6-31G(d,p)) DMA + FIT |
| Energy model | 1 |
| Study_ID | 20 |
| Programs | Flexible CrystalPredictor (2.1), DMACRYS (2.0.8) |
| Location on S Drive | CHEMISTRY_CPOSS\\Olanzapine\\Amoxapine\\Amox-CP |
| Potential Description | CrystalPredictor + DMACRYS with GDMA2.2(PBE1PBE/6-31G(d,p)) + FIT |
| Search Identifier | A |
| Scientist | Louise Price |
| Date | 2012 |
| Publication | No publication planned. |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | Molpak, DMACRYS (2.0.4) |
| Location on S Drive | CHEMISTRY_CPOSS\\Olanzapine\\Amoxapine\\pbe_molpak |
| Potential Description | DMA + FIT |
Figure . Crystal energy landscape of Amoxapine from previous work. Left: from rigid molecule MOLPAK search. Right: CrystalOptimizer refinement of CrystalPredictor search.
Table . Crystallographic information for CSD entries for Amoxapine. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| AMOXAP | Pna21 | 1.0 | 11.765 | 9.743 | 12.99 | 90.0 | 90.0 | 90.0 | 1.3997 | None |
Table . Experimental information for CSD entries for Amoxapine.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| AMOXAP | Pna21 | 4.9 | None | 1977 | 10.1107/S056774087700555X |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.