Synthesis, spectra, and the crystal structure of α-(3,3-Dimethyl-3,4-dihydroisoquinolyl-1)-hydroxyiminoacetamide
α-(3,3-Dimethyl-3,4-dihydroisoquinolyl-1)-hydroxyiminoacetamide (I) was synthesized, and its X-ray structure analysis was performed (Enraf-Nonius CAD-4 diffractometer; MoKα radiation; graphite monochromator; θ/2θ scan; 2θmax = 56°; 2496 reflections with I ≥ 2σ(I); and R = 0.038). Crystals of I are monoclinic; a = 11.67(1), b = 8.365(3), and c = 15.22(2) Å; β = 107.7(1)°; V = 1415.2(2) Å3; ρ(calc) = 1.236 g/cm3; Z = 4; and sp. gr. P21/n. I crystallizes as a monohydrate, and its formula is C13H15N3O2 · H2O. In a crystal, I exists in an azomethineoxime tautomeric form. The planes of amideoxime and dihydroisoquinoline moieties are nearly orthogonal to each other. According to IR and electronic spectra, when passing from crystal to solution the conformation of I changes only slightly. An effect of water molecules on the molecular structure of I is discussed.
Bertin A., Bruschi M., Bystritsky V.M., Bystritskii V.M., Capponi M., Cereda B., Dugar-Zhabon V.D., Ferretti A., Galli D., Giacobbe B., Kirpal V.I., Knyazev A.I., Kravchenko I.M., Marconi U., Massa I., Merzlyakov S.I., Moroni C., Piccinini M., Poly M., Rivkis L.A., Samsonenko N.V., Semprini-Cesari N., Shvetsov V.N., Sidorov V.T., Smirnov V.N., Sorokin S.I., Spighi R., Starshin E.P., Stolupin V.A., Strelkov A.V., Vecchi S., Vezzani A., Villa M., Vitale A., Wozniak J., Zavattini G., Zhuravlev N.I., Zoccoli A., De Castro S.
Physics of Atomic Nuclei.