Crystal and molecular structure ofN-phenyl-4-nitrobenzamidoxime

N-Phenyl-4-nitrobenzamidoxime has been studied by X-ray structural analysis. In two crystallographically independent molecules1A and1B, amidoxime groups adopt a planarZ configuration, and these fragments are in ans-trans conformation with respect to the =N-O and C-N(H) bonds; an intramolecular NH...O bond occurs. The nitrophenyl and phenyl groups are rotated with respect to the amidoxime plane ONCN] by –57 and –32° in1A and –38 and –22° in1B, respectively. The rotation of the fragments about the C(1)-N(2) bond is –28 (1A) and –35° (1B). In crystals, molecules1A and1B are linked in oxime dimers through two intermolecular =N...(HO) hydrogen bonds; dimers form double chains through two NH...(O₂N) hydrogen bonds.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1516–1519, August, 1995.The work was supported by the Russian Foundation for Basic Research (Project No. 93-03-05069).