4,5‐Dihydro‐3‐methyl‐5‐(4‐methylphenyl)‐1H‐pyrazole‐1‐carboxamidinium acetate acetone hemisolvate |
| |
Authors: | Viktor Kettmann,Jan Sv tlí k |
| |
Affiliation: | Viktor Kettmann,Jan Světlík |
| |
Abstract: | ![]() The X‐ray structure analysis of the unexpected product of the reaction between 4‐(4‐methylphenyl)but‐3‐en‐2‐one and aminoguanidine revealed the title compound, C12H17N4+·C2H3O2?·0.5C3H6O, consisting of a protonated amidine moiety joined to a substituted pyrazoline ring at the N1 atom. The amidine group is protonated and the positive charge is delocalized over the three C—N bonds in a similar manner to that found in guanidinium salts. The amidinium moiety of the cation is linked to the acetate anions through four N—H?O hydrogen bonds, with N?O distances of 2.749 (4), 2.848 (4), 2.904 (4) and 2.911 (4) Å. The pyrazoline ring adopts a flattened envelope conformation and the substituted phenyl ring is oriented perpendicular to the attached heterocycle. The acetone solvate molecule lies across a twofold rotation axis. |
| |
Keywords: | |
|
|