Abstract
The title compound TNDFIW, C8H8N10O 10, is a caged heterocycle substituted with four nitro and two formyl groups. It is related to the hexa-azaisowurtzitane family of high-density high-energy polycyclic cage compounds. Four nitro groups are appended to the four N atoms of the two five-membered rings, while the other two formyl groups are attached to the two N atoms of the six-membered ring, which adopts a boat conformation. The compound has a cage structure which is constructed from one six-membered and two five-membered rings which are closed by a C - C bond, thus creating two seven-membered rings. There are a number of close intermolecular contacts [O⋯O = 2.827 (5), 2.853 (4) and 2.891 (5) Å; O⋯N = 2.746 (2) and 2.895 (2) Å] The calculated density of TNDFIW is 1.891 Mg m-3.
| Original language | English |
|---|---|
| Pages (from-to) | o338 |
| Journal | Acta Crystallographica Section E: Structure Reports Online |
| Volume | 66 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - 2010 |
Keywords
- Data-to-parameter ratio = 7.3
- Mean σ(C-C) = 0.004 Å
- R factor = 0.041
- Single-crystal X-ray study
- T = 93 K
- WR factor = 0.094
Fingerprint
Dive into the research topics of '4,10-Diformyl-2,6,8,12-tetranitro-2,4,6,8,10,12-hexa-azatetracyclo-[5.5.0. 05,9.03,11]dodecane'. Together they form a unique fingerprint.Cite this
- APA
- Author
- BIBTEX
- Harvard
- Standard
- RIS
- Vancouver