Refinement of 2-nitroguanidine by neutron powder diffraction

Insensitive High Explosives: III. Nitroguanidine – Synthesis – Structure – Spectroscopy – Sensitiveness

“…The position of the hydrogen atoms in NGu has been unambiguously located by Choi using neutron diffraction on N2 and N3 [6] proving that NGu is not a nitramine. The NÀH bonds are a little shorter than usual Nsp 3 ÀH bonds (96 and 98 pm versus 101 pm) [106].…”

“…Apart from theoretical studies and those addressing its chemical reactivity a number of crystallographic studies have been conducted to solve the conundrum whether NGu has a nitrimine or a nitramine structure (Tables 10, 11). Figure 21 depicts a capped stick model of NGu derived from crystallographic data in [6] bearing the designations of all atoms in NGu. Table 10 depicts the bond lengths and angles determined.…”

“…Nitroguanidine is a nitrimine -see structure A in Figure 1 -but despite clear scientific evidence [6] also in terms of reactivity and spectroscopic data has long been falsely described as a nitramine -see structure B in Figure 1.…”

Nitroimines: II. Structure of Nitroamino-1,2,4-triazoles

“…(3) Structural analogs of I and II, such as nitroguanidine [24][25][26][27] and 2-nitroiminoimidazolidine derivatives [28,29] and primarily compound V [13,19] were shown to have nitroimine structure both in the crystalline state [21] and in solution.…”

l-Nitroargininium picrate

“…1.300 Å, while formally single C-N bond lengths in nitramine groups make 1.362-1.376 Å. In case of nitroguanidine[18][19][20] formally double bond became single bond with bond-length (e.g.…”