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.

Авторы
Sokol V.I.1 , Davydov V.V. 2 , Kartashova I.V. 2 , Zaitsev B.E. 2 , Shklyaev Yu.V.3 , Ryabov M.A. 2 , Sergienko V.S.1
Номер выпуска
3
Язык
Английский
Страницы
451-456
Статус
Опубликовано
Том
41
Год
1996
Организации
  • 1 Kurnakov Inst. Gen. and Inorg. Chem., Russian Academy of Sciences, Leninskii pr. 31, Moscow, 117907, Russian Federation
  • 2 Russ. Univ. of People's Friendship, ul. Miklukho-Maklaya 6, Moscow DSP, 117198, Russian Federation
  • 3 Institute of Technical Chemistry, Ural Division, Russian Academy of Sciences, Perm, Russian Federation
Дата создания
19.10.2018
Дата изменения
16.04.2021
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/825/