Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 96-13-9, is researched, Molecular C3H6Br2O, about HBr or not HBr That is the question: crystal structure of 6-hydroxy-1,4-diazepane-1,4-diium dibromide redetermined, the main research direction is hydroxyl diazepane diium dibromide crystal structure; crystal structure; dihydrobromide; misinterpreted H atom; protonated diamine; series-termination error.Product Details of 96-13-9.
Liu et al. [Chin. J. Struct. Chem. (1996). 15, 371-373] reported the structure of 6-hydroxy-1,4-diazepane di(hydrogen bromide), C5H12N2O·2HBr, which was interpreted in terms of neutral diazepane and HBr mols. We found, however, ample evidence that the formation of an organic salt, consisting of a diammonium cation and two bromide anions, is more plausible. This interpretation is also in agreement with thermogravimetric anal. and with the observed solution behavior. The crystal structure of 6-hydroxy-1,4-diazepane-1,4-diium dibromide, C5H14N2O2+·2Br-, measured at 142 K, crystallized in the orthorhombic space group P212121. The structure displays O-H···Br and N-H···Br hydrogen bonding. Contact distances are given. A search in the Cambridge Structural Database for the singly-bonded H-Br moiety revealed a total of 69 structures. The question, whether these structures really include HBr as neutral mols. or rather Br- anions and a protonated substrate such as an amine, is addressed.
There is still a lot of research devoted to this compound(SMILES：OCC(Br)CBr)Product Details of 96-13-9, and with the development of science, more effects of this compound(96-13-9) can be discovered.
Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem