Crystal and molecular structures of 3-amino-4-hydroxy benzenesulfonamide and its hydrochloride: Quantum-chemical study of their tautomerism

3-amino-4-hydroxy benzenesulfonamide and its hydrochloride have been isolated in the crystalline state. Their crystal and molecular structures are determined by X-ray diffraction. The equilibrium between neutral tautomeric forms of the 3-amino-4-hydroxy benzenesulfonamide molecule is studied within the approximation of density functional theory (B3LYP/aug-cc-pVDZ). The constants of acid-base equilibrium of 3-amino-4-hydroxy benzenesulfonamide are deter-mined using spectrophotometry. © 2013 Pleiades Publishing, Ltd.

Авторы
Редакторы
-
Издательство
-
Номер выпуска
2
Язык
Английский
Страницы
247-252
Статус
Опубликовано
Подразделение
-
Номер
-
Том
58
Год
2013
Организации
  • 1 Peoples Friendship University of Russia, 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
Crystalline materials; Equilibrium constants; Quantum chemistry; X ray diffraction; Acid-base equilibria; Benzenesulfonamide; Crystal and molecular structure; Crystalline state; Tautomeric forms; Molecular structure
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/2165/