| Abstract: | The title compound 1-[(1-Phenyl-4-cyano)pyrazol-5-yliminomethyl]-2-nitroiminoimidazolidine 2 (C14H14N8O2, Mr=326.33) was obtained by the reaction of (1-Phenyl-4-cyano)pyrazol-5-yliminomethyl ethylether with 2-nitroiminoimidazoli-dine in the presence of sodium hydride. The crystal is monoclinic, space group P21/n, with unit cell constants a =7.310(1), b =17.218(2), c =11.669(1), β=92.552(2)°, Z=4, V=1467.2(3)3, Dc=1.477g/cm3, F(000)=680, μ(MoKα)=0.107 mm-1, R=0.0506, wR=0.1398 for 2593 observed reflections(I>2σ(I)). In this compound the nitroimino group is coplanar with the imidazolidine ring and pyrazole ring plane; shorter C-N bond lengths and longer exocyclo C=N bond length were observed, suggesting a formation of a fully delocalized system. The dihedral angles between the plane formed by the O(1), O(2), N(1), N(2), C(1), N(4), C(4), N(5), C(5), N(6), N(7), C(7), C(6) atoms and phenyl ring is 48.5°. The interatomic distance for N(4)-N(6) is 4.61.The intermolecular hydrogen bonding N(3)-H...N(8) is observed. |
