Crystal structure of the iron(III) chloride complex with 2-(3,3-dimethyl-1,2,3,4-tetrahydroisoquinolylidene-1)-5,5-dimethyl-2,3,5, 6-tetrahydroimidazo[2.1-a]isoquinolin-3-one

The iron(III) complex with 2-(3,3-dimethyl-1,2,3,4- tetrahydroisoquinolylidene-1)-5,5-dimethyl-2,3,5,6-tetrahydroimidazo[2.1-a] isoquinolin-3-one (L) was studied by X-ray diffraction. The complex (LH)· [FeCl4]·C3H6O has a cation-anion structure. The proton in the HL+ cation is located at the N(2) nitrogen atom in position 1 of the imidazolone fragment. The cation contains a hydrogen bond (O(1)-H(1), 1.31(5) Å; N(3)-H(1), 1.37(5) Å; O(1)⋯N(3), 2.67 Å; O(1)H(1)N(3), 167(4)°) in which the position of the H(1) atom corresponds to the average of two equiprobable half-populated positions at the O(1) and N(3) atoms. The π-electron density in the imidazolone moiety is delocalized. The C-C bond length between the imidazolone and dihydroisoquinoline moieties (1.42(1) Å) is much greater than the standard C=C double bond length. The FeCl4 - anion has a usual geometry.

Авторы
Издательство
IAPC Nauka/Interperiodica
Номер выпуска
11
Язык
Английский
Страницы
1712-1719
Статус
Опубликовано
Том
49
Год
2004
Организации
  • 1 Kurnakov Inst. Gen. and Inorg. Chem., Russian Academy of Sciences, Leninskii pr. 31, Moscow, 119991, Russian Federation
  • 2 Peoples Friendship University, ul. Miklukho-Maklaya 6, Moscow, 117198, Russian Federation
  • 3 Institute of Technical Chemistry, Ural Division, Russian Academy of Sciences, ul. Lenina 13, Perm, 614600, Russian Federation
Ключевые слова
2 (3,3 dimethyl 1,2,3,4 tetrahydroisoquinolylidene 1) 5,5 dimethyl 2,3,5,6 tetrahydroimidazo[2,1 alpha]isoquinolin 3 one; ferrous chloride; isoquinoline derivative; ketone derivative; unclassified drug; article; chemical bond; chemical structure; complex formation; crystal structure; density; geometry; hydrogen bond; X ray diffraction
Дата создания
19.10.2018
Дата изменения
12.04.2021
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/3699/
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