The structure and antiviral activity of ribavirin analogs. III. Molecular and crystal structure of 1-(2-hydroxyethoxymethyl)-1,2,4-triazole-carboxamide |
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Authors: | E N Tsapkina G V Gurskaia T L Tsilevich S V Lindeman Iu T Struchkov |
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Abstract: | The crystal and molecular structure of a ribavirin acyclic analogue, 1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide, has been determined by X-ray diffraction method. The space group is P1, unit cell parameters: a = 5,237, b = 6,960, c = 11,483 A, alpha = 93,89, beta = 97,43, gamma = 94,26 degrees; Z = 2. The structure was solved by the direct method and refined by least-squares procedure to R = 3.7%. Two molecular conformers statistically coexist in the unit cell, differing in the hydroxyethoxymethyl group conformation. Trans-conformation about O4'-C4' bond and gauche about C4'-C5' bond are observed in both molecules. C1'-O4' bond is approximately perpendicular to the aglicon. |
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