Crystal structure and spectral characteristics of 2-methyl-3-chloro-9- hydroxypyrido[1,2-a]pyrimidin-4-one and bis(2-methyl-3-chloro-9-hydroxypyrido[1, 2-a]pyrimidin-4-onium) perchlorate

- 2-Methyl-3-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one (I) and bis(2-methyl-3-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-onium) perchlorate (Ia) are synthesized and studied by X-ray diffraction and IR spectroscopy. It is shown that compound I exists in the molecular form in crystals and in the zwitterion form in solutions. The structural units of compound Ia are partially protonated centrosymmetric dimeric cations and perchlorate anions. The dimeric cation involves two molecules I in the zwitterion form. These molecules are linked together by a strong symmetric hydrogen bond formed with the participation of a proton located at the inversion center. The structures of a series of pyrido[1,2-a]pyrimidines are investigated and compared. It is demonstrated that the tautomeric equilibrium revealed in solutions of compounds of this class depends on the solvent type and pH of the medium. © 2004 MAIK "Nauka/Interperiodica".

Авторы
Koval'chukova O.V. 1 , Mordovina N.I. 1 , Kuz'mina N.E.2 , Nikitin S.V. 3 , Zaǐtsev B.E. 1 , Strashnova S.B. 1 , Palkina K.K.2
Редакторы
-
Издательство
-
Номер выпуска
5
Язык
Английский
Страницы
792-797
Статус
Опубликовано
Подразделение
-
Номер
-
Том
49
Год
2004
Организации
  • 1 Peoples' Friendship University, ul. Miklukho-Maklaya 6, Moscow, 117197, Russian Federation
  • 2 Kurnakov Inst. Gen. and Inorg. Chem., Russian Academy of Sciences, Leninskiǐ pr. 31, Moscow, 119991, Russian Federation
  • 3 Research Institute of Pharmacology, Russian Academy of Medical Sciences, Moscow, Russian Federation
Ключевые слова
2 methyl 3 chloro 9 hydroxypyrido[1,2 a]pyrimidin 4 one; ampholyte; bis(2 methyl 3 chloro 9 hydroxypyrido[1,2 a]pyrimidin 4 onium)perchlorate; cation; dimer; perchlorate; solvent; unclassified drug; article; crystal structure; hydrogen bond; infrared radiation; molecule; pH; proton transport; spectroscopy; structure activity relation; synthesis; X ray diffraction
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/3603/