Purines.XXXIX. : The Crystal Structure of 9-Benzyl-N6-methoxyadenine

Tozo FUJII; Tohru SAITO; Tadamasa DATE; Yoshihiko NISHIBATA

doi:10.1248/cpb.38.912

Purines.XXXIX. : The Crystal Structure of 9-Benzyl-N⁶-methoxyadenine

Tozo FUJII, Tohru SAITO, Tadamasa DATE, Yoshihiko NISHIBATA

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Keywords: 9-benzyl-N⁶-methoxyadenine, X-ray crystal structure, syn-imino form, benzyl conformation, hydrogen bonding, MNDO calculation, amino-imino tautomerism

JOURNAL FREE ACCESS

1990 Volume 38 Issue 4 Pages 912-916

DOI https://doi.org/10.1248/cpb.38.912

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Abstract

The X-ray crystal structure of 9-benzyl-N⁶-methoxyadenine (2) has been determined. In the crystal, this compound exists in two different conformations with respect to the N(9)-benzyl group. Each conformer has been found to possess the syn-6-imino-1H-purine structure (13).

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