Статья

Crystal structure of ammonium 3′-azido-3′-deoxythymidine-5′-aminocarbonylphosphonate hemihydrate: An anti-HIV agent

M. Jasko, G. Gurskaya, M. Kukhanova, I. Bushmarinov,
2021

The asymmetric unit of the title compound, NH4 +·C11H14N6O7P-·0.5H2O, contains one 3′-azido-3′-deoxythymidine-5′aminocarbonylphosphonate (ACP-AZT) anion, half of an NH4 + cation lying on a twofold rotation axis and in another position, occupied with equal probabilities of 0.5, an NH4 + cation and a water molecule. The amide group of the ACP-AZT anion is disordered (occupancy ratio 0.5:0.5), with one part forming an N - H⋯O (involving C=O⋯H4N+) hydrogen bond and the other an O - H⋯N (involving C - NH2⋯OH2) hydrogen bond with the components of the split NH4 +/H2O position. The pseudorotation parameters of ACP-AZT set it apart from previously studied AZT and thymidine. In the crystal, the various components are linked by N - H⋯O, O - H⋯O, N - H⋯N, C - H⋯O and C - H⋯N hydrogen bonds, forming a three-dimensional framework.

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  • 1. Version of Record от 2021-04-27

Метаданные

Об авторах
  • M. Jasko
    Engelhardt Institute of Molecular Biology, Russian Academy of Sciences, Vavilov St 32, Moscow, 119991, Russian Federation
  • G. Gurskaya
    A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Vavilov St 28, Moscow, 119991, Russian Federation
  • M. Kukhanova
  • I. Bushmarinov
Название журнала
  • Acta Crystallographica Section E: Structure Reports Online
Том
  • 70
Выпуск
  • 11
Страницы
  • 396-399
Издатель
  • International Union of Crystallography
Тип документа
  • journal article
Тип лицензии Creative Commons
  • CC
Правовой статус документа
  • Свободная лицензия
Источник
  • scopus