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Molecular mechanics calculations confirmed the presence of an energy barrier created by the interactions of the 2-nitro group with the 6-O and 2-H atoms of the purine ring, hindering the complete rotation of the 2,4-dinitrophenyl ring. The same results were obtained when the corresponding 2-nitrophenyl derivative was synthesized (data not shown).
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33748985576
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Ref. 9c
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(e) Ref. 9c.
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