(Last updated April 2026)
Figure . The molecular diagram of TetrazolePyrazine.
| REFCODE | UCLLIA |
|---|---|
| Formula | C8 N18 H4 |
| Common Name | Tetrazol-pyrazine |
| IUPAC Systematic Name | 2,3,5,6-tetrakis(1H-tetrazol-5-yl)pyrazine |
| Other Names | |
| CSD Refcodes | |
| Search Identifier | A |
| Scientist | Luca Iuzzolino |
| Date | 2016 |
| Publication | No publication planned. |
| Energy model | 3 |
| Study_ID | 30 |
| Programs | Study_ID=10, DMACRYS (2.2.0.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\Tetrazol\\Tetrazol-pyrazine\\PCM |
| Potential Description | GDMA2.2(PCMdielectric3(PBE0/6-31G(d,p)) + FIT |
| Intramolecular Description | PCM3(PBE1PBE/6-31G(d,p)) |
| Energy model | 1 |
| Study_ID | 10 |
| Programs | CrystalPredictor, CrystalOptimizer, DMACRYS (2.2.0.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\Tetrazol\\Tetrazol-pyrazine\\CrystOpt |
| Potential Description | CrystalOptimizer with GDMA2.2(PBE1PBE/6-31G(d,p)) + FIT |
| Intramolecular Description | PBE1PBE/6-31G(d,p) |
| Energy model | 2 |
| Study_ID | 11 |
| Programs | Study_ID=10, CrystalOptimizer, DMACRYS (2.2.0.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\Tetrazol\\Tetrazol-pyrazine\\CrystOpt_will |
| Potential Description | CrystalOptimizer with GDMA2.2(PBE1PBE/6-31G(d,p)) + Will |
| Intramolecular Description | PBE1PBE/6-31G(d,p) |
Figure . Crystal energy landscape of TetrazolePyrazine from previous work.
Not on CSD.