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International Union of Crystallography, Acta Crystallographica Section C: Crystal Structure Communications, 10(41), p. 1449-1452, 1985

DOI: 10.1107/s0108270185008137

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Structure of a nucleoside N1-analogue of formycin B exhibiting the 'mid-anti,C(3')-endo' conformation

Journal article published in 1985 by V. Bertolasi, V. Ferretti ORCID, F. Bellucci, G. Gilli, P. G. Baraldi
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

6-Benzyl-3-methyl-1-(β-D-ribofuranosyl)-7H-pyrazolo[4,3-d]pyrimidin-7-one orthorhombic, space group P212121, with a 5.442(1), b 13.387(2), and c 23.759(4) Å; Z = 4 for d = 1.43. The final R = 0.039 for 1154 reflections. The conformational parameters of the compd. are: a C(3')-endo (3E/3T2) ribose conformation, a mid-anti glycosidic bond rotation [χ = 66.4(4)°] and a gauche-trans conformation around the ribose C(4')-C(5') bond. The H bonding in the crystal is analyzed in terms of graph formalism and correspond (according to the formalism of Kuleshova and Zorky 1980) to the F66(3,4,6) or F68(2,3,4,6) graphs according to whether the bifurcated H bonds are single or double bonds. At. coordinates are given. [on SciFinder(R)]