Crystal and molecular structures of benzo[4,5]imidazo[1,2-c]quinazolin-6- one and 10-carboxybenzo[4,5]imidazo[1,2-c]quinazolin-6-one: A quantum-chemical study of their tautomerism

Benzo[4,5]imidazo[1,2-c]quinazolin-6-one and 10-carboxybenzo[4,5]imidazo[1, 2-c]quinazolin-6-one were isolated in the crystalline state and studied by X-ray diffraction. The crystal and molecular structures of these compounds were determined by X-ray diffraction. The energy characteristics of the tautomeric and ionic forms were calculated by the quantum-chemical PM3 method. © Pleiades Publishing, Inc., 2011.

Номер выпуска
2
Язык
Английский
Страницы
256-259
Статус
Опубликовано
Том
56
Год
2011
Организации
  • 1 Peoples' Friendship University of Russia, ul. Miklukho-Maklaya 6, Moscow 117198, Russian Federation
  • 2 Karpov Institute of Physical Chemistry, ul. Vorontsovo pole 10, Moscow 105064, Russian Federation
Ключевые слова
Crystal and molecular structure; Crystalline state; Energy characteristics; Ionic forms; PM3 method; Crystalline materials; Diffraction; Molecular structure; Quantum chemistry; X ray diffraction; Quantum theory
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/2584/
Поделиться

Другие записи