Structure of 2-Amino-4-phenyl-9H-pyrimido[4,5-b]indole and Its Nitrate in Crystal and Solution
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- 作者：V. P. Borovik ; I. Yu. Bagryanskaya ; Yu. V. Gatilov and O. P. Shkurko
- 关键词：2 ; amino ; 9H ; pyrimido[4 ; 5 ; b]indole ; protonation ; structure of the base and nitrate ; 1H NMR ; 13C NMR ; XRD
- 刊名：Journal of Structural Chemistry
- 出版时间：July, 2003
- 出版年：2003
- 期刊代码：26_00224766
- 类别：law
- 卷：44
- 期：4
- 页码：650-654
- 数据来源：sp
摘要
The crystal structures of 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole and its nitrate were determined by XRD analysis. 13C NMR, XRD, and quantum-chemical data indicate that the acid proton is predominantly localized at the N(3) atom of the pyrimidine ring in both isolated nitrate molecules and in molecules in crystal and solution.