The structure and antiviral activity of ribavirin analogs. II. Molecular and crystal structure of 1-(1,5-dihydroxy-3-oxapent-2-yl)-1,2,4-triazole-5-carboxamide

Tsapkina, E.N.; Gurskaia, G.V.; Zavgorodniĭ, S.G.; Lindeman, S.V.; Struchkov, I.T.; Tsapkina, E.N; Gurskaia, G.V; Zavgorodnii, S.G; Lindeman, S.V; Struchkov, I.T

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The structure and antiviral activity of ribavirin analogs. II. Molecular and crystal structure of 1- (1,5-dihydroxy-3-oxapent-2-yl) -1,2,4-triazole-5-carboxamide

Tsapkina, E.N.; Gurskaia, G.V.; Zavgorodniĭ, S.G.; Lindeman, S.V.; Struchkov, I.T.

Bioorganicheskaia Khimiia 14(8): 1092-1097

1988

ISSN/ISBN: 0132-3423

PMID: 2851300

Document Number: 324640

X-ray structure of the title compound, an antiviral agent moderately active towards Herpes simplex virus type 1, has been determined. The space group is P2i/n, unit cell parameters: a = 10,119, b = 7,529, c = 13,585 A, beta = 107,82 degrees, Z = 4. The structure was solved by the direct method and refined by least-squares procedure to R = 2.9%. The gauche-conformation about C4'-C5' bond and trans-conformation about O4'-C4' bond are realized in the molecule. The carboxyamide group at the C5 atom of triazol cycle provides a steric opportunity for the intramolecular hydrogen bond C1'-H1'...O6 formation.