Triazole derivativesTriazole derivatives R 0280 N-Nitroimines. Part 1. Synthesis, Structure, and Properties of 3,5-Diamino-1-nitroamidino-1,2,4-triazole. -The reaction of the triazole (I) with 2-methyl-1-nitroisothiourea gives the title compound (III) instead of the expected nitroguanidine (IV). -(ASTAKHOV, A. M.; VASIL'EV, A. D.; GELEMURZINA, I. V.; SOKOLENKO, V. A.; KRUGLYAKOVA, L. A.; STEPANOV, R. S.; Russ.
Key indicatorsSingle-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.036 wR factor = 0.106 Data-to-parameter ratio = 11.5For details of how these key indicators were automatically derived from the article, see
The title compound, CH(3)N(5)O(4), is almost planar, and the conformation is fixed by two intramolecular N-H...O hydrogen bonds. Owing to the delocalization of pi-electron density over the whole molecule, there is through-conjugation, with the C-N, N-N and N-O bond lengths having values intermediate between those typical for the corresponding single and double bonds.
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