Synthesis, crystal structure, and spectral studies of 10-(2- benzothiazolylazo)-9-phenanthrol

10-(2-Benzothiazolylazo)-9-phenanthrol (L) is prepared by a reaction of 2-hydrazinobenzothiazol with 9,10-phenanthrenequinone. The crystal and molecular structure of the L·CHCl 3 solvate is determined by X-ray diffraction. The data of the X-ray diffraction study, as well as IR, 1H NMR, and electronic absorption spectra, indicate that in the crystal state and solutions the L molecule exists in the form of a quinohydrazone tautomer (b) (s-trans, cis) stabilized by the intramolecular N2-HN2···O1 hydrogen bond. The "mobile" H atom is located at the N2 atom of the azo group. The benzothiazolyl and phenanthrenequinone fragments are nearly coplanar. Spectroscopic criteria for the state of L in various media are determined based on the data of IR, 1H NMR, and electronic absorption spectroscopy and the results of the Pariser-Parr-Pople quantum-chemical calculations. © Pleiades Publishing, Ltd., 2012.

Авторы
Редакторы
-
Издательство
-
Номер выпуска
2
Язык
Английский
Страницы
227-234
Статус
Опубликовано
Подразделение
-
Номер
-
Том
57
Год
2012
Организации
  • 1 Peoples' Friendship University of Russia, ul. Miklukho-Maklaya 6, Moscow, 117198, Russian Federation
  • 2 Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow, 119991, Russian Federation
Ключевые слова
9 ,10-Phenanthrenequinone; Azo group; Benzothiazolyl; Crystal and molecular structure; Crystal state; Electronic absorption spectra; Electronic absorption spectroscopy; Phenanthrenequinone; Quantum-chemical calculation; S-trans; Spectral studies; X-ray diffraction studies; Hydrogen bonds; Quantum chemistry; Quantum theory; Spectroscopic analysis; X ray diffraction; Synthesis (chemical)
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/2349/