(Last updated June 2026)
Figure . The molecular diagram of Hydroxyazabenzotriazole.
| REFCODE | BELBUP |
|---|---|
| Formula | C5 H4 N4 O1 |
| Common Name | Hydroxyazabenzotriazole |
| IUPAC Systematic Name | 1-Hydroxy-7-Azabenzotriazole |
| Other Names | 3H-[1,2,3]triazolo[4,5-b]pyridin-3-ol |
| CSD Refcodes | BELBUP01, BELBUP02, BELBUP06 |
| Search Identifier | A |
| Scientist | Not sure |
| Date | pre-2010 |
| Publication | No publication planned. |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\hydroxyazabenzotriazole |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of Hydroxyazabenzotriazole from previous work.
Table . Crystallographic information for CSD entries for Hydroxyazabenzotriazole. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| BELBUP | C2/c | 1.0 | 22.091 | 3.994 | 14.294 | 90.0 | 114.83000 | 90.0 | 1.5797 | C2/c polymorph |
| BELBUP01 | C2/c | 1.0 | 22.0427 | 3.93110 | 14.234 | 90.0 | 114.885 | 90.0 | 1.6160 | C2/c polymorph |
| BELBUP02 | P21/c | 1.0 | 3.74870 | 20.8881 | 7.0982 | 90.0 | 96.257000 | 90.0 | 1.6363 | P21/c polymorph |
| BELBUP03 | Pca21 | 1.0 | 20.2593 | 4.0782 | 6.82780 | 90.0 | 90.0 | 90.0 | 1.6026 | Pca21 polymorph |
| BELBUP04 | C2/c | 1.0 | 22.0384 | 3.9291 | 14.2255 | 90.0 | 114.82600 | 90.0 | 1.6173 | C2/c polymorph |
| BELBUP05 | P21/c | 1.0 | 3.8281 | 20.8300 | 7.1313 | 90.0 | 96.359000 | 90.0 | 1.5997 | P21/c polymorph |
| BELBUP06 | Pca21 | 1.0 | 20.2281 | 4.0014 | 6.81260 | 90.0 | 90.0 | 90.0 | 1.6395 | Pca21 polymorph |
Table . Experimental information for CSD entries for Hydroxyazabenzotriazole.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| BELBUP | C2/c | 3.81 | None | 1999 | 10.1016/S0022-2860(98)00582-1 |
| BELBUP01 | C2/c | 2.96 | at 123.0 K | 2006 | 10.1107/S0108768106012584 |
| BELBUP02 | P21/c | 3.27 | at 123.0 K | 2006 | 10.1107/S0108768106012584 |
| BELBUP03 | Pca21 | 4.95 | at 294 K | 2010 | 10.1016/j.poly.2010.07.004 |
| BELBUP04 | C2/c | 3.09 | 123 K | 2018 | None |
| BELBUP05 | P21/c | 3.53 | 294 K | 2021 | None |
| BELBUP06 | Pca21 | 2.949 | 150 K | 2023 | None |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.