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

被引：2

作者：

Kovalchukova, O. V. ^{[1
]}

Strashnova, S. B. ^{[1
]}

Romashkina, E. P. ^{[1
]}

Strashnov, P. V. ^{[1
]}

Zaitsev, B. E. ^{[1
]}

Sergienko, V. S. ^{[2
]}

机构：

[1] Peoples Friendship Univ Russia, Moscow 117198, Russia

[2] Russian Acad Sci, Kurnakov Inst Gen & Inorgan Chem, Moscow 119991, Russia

来源：

CRYSTALLOGRAPHY REPORTS | 2013年 / 58卷 / 02期

基金：

俄罗斯基础研究基金会;

关键词：

METAL-COMPLEXES; SULFA DRUGS; SULFANILAMIDE; SULFONAMIDES;

D O I：

10.1134/S1063774513020120

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

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.

引用

页码：247 / 252

页数：6