Tsapkina E N, Gurskaia G V, Zavgorodniĭ S G, Lindeman S V, Struchkov Iu T
Bioorg Khim. 1988 Aug;14(8):1092-7.
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.
已测定了标题化合物的X射线结构，该化合物是一种对1型单纯疱疹病毒具有中等活性的抗病毒剂。空间群为P2i/n，晶胞参数：a = 10.119，b = 7.529，c = 13.585 Å，β = 107.82°，Z = 4。结构通过直接法解析，并通过最小二乘法精修至R = 2.9%。分子中实现了C4'-C5'键的gauche构象和O4'-C4'键的反式构象。三唑环C5原子上的羧酰胺基团为分子内氢键C1'-H1'...O6的形成提供了空间条件。
