2-tert-Butyl-1-(4-nitroamino-1,2,5-oxadiazol-3-yl)diazene 1-oxide
نویسندگان
چکیده
In the title compound, C(6)H(10)N(6)O(4), the nitro-amine -NHNO(2) substituent and the C-N=N(→ O) unit of the other substituent of the oxadiazole ring are nearly coplanar with the five-membered ring [dihedral angles = 5.7 (1) and 3.0 (1)°]. The amino group of the -NHNO(2) substituent is a hydrogen-bond donor to the two-coordinate N atom of the C-N=N(→ O) unit.
منابع مشابه
Synthesis and characterization of novel bioactive 1,2,4-oxadiazole natural product analogs bearing the N-phenylmaleimide and N-phenylsuccinimide moieties
Taking into consideration the biological activity of the only natural products containing a 1,2,4-oxadiazole ring in their structure (quisqualic acid and phidianidines A and B), the natural product analogs 1-(4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)phenyl)pyrrolidine-2,5-dione (4) and 1-(4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)phenyl)-1H-pyrrole-2,5-dione (7) were synthesized starting from 4-(3-tert-...
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Decomposition mechanisms, activation barriers, Arrhenius parameters, and reaction kinetics of the novel explosive compounds, 3,4-bis(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole (BNFF-1), and 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole (ANFF-1) were explored by means of density functional theory with a range of functionals combined with variational trans...
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The complete molecule of the compound, C(6)H(4)N(8)O(3), is generated by a crystallographic twofold rotation axis that runs through the central ring. The flanking ring is twisted by 20.2 (1)° with respect to the central ring. One of the amino H atoms forms an intra-molecular N-H⋯N hydrogen bond; adjacent mol-ecules are linked by N-H⋯N hydrogen bonds forming a chain running along [10-2].
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In the title compound, C(13)H(16)N(10)O(2)S·C(5)H(9)NO·H(2)O, the entire 1-methylpyrrolidin-2-one (NMP) mol-ecule is disordered over two sites with occupancies of 0.488 (5) and 0.512 (5). The six-membered triazine ring and the two five-membered pyrazole and thiadia-zole rings, together with the diazene (-N=N-) linkage are almost coplanar (r.m.s. deviation for the non-H atoms = 0.0256 Å) with me...
متن کامل(2,6-Bis{5-amino-3-tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1H-pyrazol-1-yl}-4-oxo-1,4-dihydro-1,3,5-triazin-1-ido)methanol(phenol)sodium phenol tetrasolvate
The title compound, [Na(C(23)H(28)N(17)OS(2))(CH(3)OH)(C(6)H(5)OH)]·4C(6)H(5)OH, is a five-coordinate Na(I) complex. The Na(+) cation is bound to three N atoms of the triazinide ligand, two from each pyrazole ring and one from the central deprotonated triazine ring system. O atoms from a methanol and a phenol mol-ecule complete the five-coordinate NaN(3)O(2) coordination environment. The asymme...
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