Crystal and molecular structure of four adamantyl-substituted tetrazoles

A combined experimental and theoretical study of the tautomeric and conformational properties of (5-phenyl-tetrazol-2-yl)-acetic acid methyl ester

“…The bond length and bond are similar to that reported for other tetrazoles substituted in position 2 [37]. In the present case, the N-N bond distances are in the range 1.31-1.33 Å, with the N2N3 and N3N4 and bond lengths being identical [1.315(2) and Fig.…”

“…As already noted for 5 [36] and 2-substituted species [37], the formal double bonds are strongly delocalized in the planar tetrazole ring and the alternation of single and double bonds is scarcely noted. The bond length and bond are similar to that reported for other tetrazoles substituted in position 2 [37].…”

3-(Nitromethylene)oxetane: a very versatile and promising building block for energetic oxetane based monomers

“…19 The single bond between C3 and the tetrazole moiety features a length of 1.464(2) Å which is shorter than in similar tetrazole-derivatives. 21–23 The bond between C3 and C4 is shorter (1.506(2) Å) than the average bond length between sp 3 -hybridized carbons atoms. 20 A deviation from typical values is also found for the bond between C4 and N1 (1.500(2) Å) which is longer compared to similar nitroaliphatic compounds (1.490(3) Å) and therefore expected to be weaker.…”

“…19 The bond between C3 and N3 is found to be considerably shorter (1.463(2) Å) than a typical bond between a tetrazole nitrogen atom and a sp 3 -hybridized carbon atom. 21–23 The bond between the amino group (N6) and carbon atom C5 features a length of 1.363(3) Å and is therefore slightly longer than in the parent compound 1 H -tetrazol-5-amine (1.333(1) Å). 25 Both amino group and tetrazole ring lie in the same plane.…”

“…19 The bond between oxetane and tetrazole ring (C3-N3) shows a length of 1.463(1) Å and is thereby shorter than in comparable N2-alkylsubstituted tetrazoles. [21][22][23] The azido group is twisted against the tetrazole ring plane by an angle of 12.411 and angulated (N8-N7-N6, 172.0(1)1) which can be explained by hyperconjugation effects. 26 The single bond between C4 and N1 is significantly longer (1.498(1) Å) than a typical bond between a sp 3 -hybridized carbon atom and a nitro group (1.485 Å).…”