(Last updated June 2026)
Figure . The molecular diagram of 2,6-diamino-3,5-dinitropyridine-1-oxide.
| REFCODE | TIBMIA |
|---|---|
| Formula | C5 H5 N5 O5 |
| Common Name | 2,6-diamino-3,5-dinitropyridine-1-oxide |
| IUPAC Systematic Name | 2,6-diamino-3,5-dinitropyridine-1-oxide |
| Other Names | |
| CSD Refcodes | TIBMIA |
| Search Identifier | A |
| Scientist | Harriott Nowell |
| Date | pre-2010 |
| Publication | No publication planned. |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (3.0) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\2,6-diamino-3,5-dinitropyridine-1-oxide |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of 2,6-diamino-3,5-dinitropyridine-1-oxide from previous work.
Table . Crystallographic information for CSD entries for 2,6-diamino-3,5-dinitropyridine-1-oxide. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| TIBMIA | C2/c | 0.5 | 14.864 | 7.336 | 7.509 | 90.0 | 111.67 | 90.0 | 1.8778 | None |
| TIBMIA01 | C2/c | 0.5 | 14.74 | 7.29200 | 7.57400 | 90.0 | 111.61 | 90.0 | 1.8878 | None |
| TIBMIA02 | C2/c | 0.5 | 14.74 | 7.29200 | 7.57400 | 90.0 | 111.61 | 90.0 | 0.0 | None |
Table . Experimental information for CSD entries for 2,6-diamino-3,5-dinitropyridine-1-oxide.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| TIBMIA | C2/c | 3.550 | None | 1996 | 10.1002/jhet.5570330357 |
| TIBMIA01 | C2/c | 4.93 | at 293 K | 2013 | 10.1039/c2ra22839d |
| TIBMIA02 | C2/c | 4.93 | at 293 K | 2013 | 10.1016/j.jssc.2013.01.014 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.