(Last updated April 2026)
Figure . The molecular diagram of Dehydroproline anhydride.
| REFCODE | DHPROA |
|---|---|
| Formula | C10 H10 N2 O2 |
| Common Name | 3,4-Dehydroproline anhydride |
| IUPAC Systematic Name | 3,4-Dehydroproline anhydride |
| Other Names | |
| CSD Refcodes | DHPROA |
| Search Identifier | A |
| Scientist | Emiliana D'Oria |
| Date | 2009 |
| Publication | D'Oria E, Karamertzanis PG, Price SL 2010. Cryst Growth Des 10, 1749-1756. DOI: Open paper (10.1021/cg9014306) |
| Energy model | 2 |
| Study_ID | 10 |
| Programs | Study_ID=0, Dmaflex (2), DMACRYS (1.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\DehydroprolineAnhydride\\dmaflex |
| Potential Description | DMA + FIT |
| Intramolecular Description | HF/6-31G(d,p) |
| Energy model | 1 (published) |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\DehydroprolineAnhydride\\opt |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
| Search Identifier | B |
| Scientist | Emiliana D'Oria |
| Date | 2009 |
| Publication | D'Oria E, Karamertzanis PG, Price SL 2010. Cryst Growth Des 10, 1749-1756. DOI: Open paper (10.1021/cg9014306) |
| Energy model | 1 |
| Study_ID | 1 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\DehydroprolineAnhydride\\exp |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of Dehydroproline anhydride from previous work.
Table . Crystallographic information for CSD entries for Dehydroproline anhydride. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| DHPROA | P41212 | 0.5 | 5.607 | 5.607 | 28.753 | 90.0 | 90.0 | 90.0 | 1.3975 | None |
Table . Experimental information for CSD entries for Dehydroproline anhydride.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| DHPROA | P41212 | 4.0 | None | 1974 | 10.1021/ja00809a033 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.