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Structure of 2-Amino-4-phenyl-9H-pyrimido[4,5-b]indole and Its Nitrate in Crystal and Solution |
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| Authors: | V P Borovik I Yu Bagryanskaya Yu V Gatilov O P Shkurko |
| Institution: | (1) N. N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, Siberian Branch, Russian Academy of Sciences, Russia |
| Abstract: | The crystal structures of 2-amino-4-phenyl-9H-pyrimido4,5-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. |
| Keywords: | 2-amino-9H-pyrimido[4 5-b]indole protonation structure of the base and nitrate 1H NMR 13C NMR XRD |
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