Literature DB >> 12855872

6-amino-3-bromo-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one-acetone-water (1/1/1): a fluorinated 2'-deoxyguanosine analogue with the sugar conformation of a ribonucleoside.

Junlin He1, Henning Eickmeier, Frank Seela.   

Abstract

In the title compound, C(10)H(11)BrFN(5)O(4).C(3)H(6)O.H(2)O, the N-glycosylic bond torsion angle, chi, is anti [-108.0 (4) degrees ]. The sugar pucker is N-type [C2'-exo, (2)E with P = 346.5 (4) degrees and tau(m) = 34.5 (2) degrees ], and the conformation around the C-C bond linking the CH(2) group and the furan ring is -sc [torsion angle gamma = -70.0 (4) degrees ].

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Year:  2003        PMID: 12855872     DOI: 10.1107/s0108270103011430

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  1 in total

1.  Crystal structure determination, Hirshfeld surface, crystal void, inter-molecular inter-action energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-di-hydro-1H-pyra-zolo[3,4-d]pyrimidin-1-yl)acetic acid.

Authors:  Ezaddine Irrou; Younesse Ait Elmachkouri; Ali Oubella; Hassan Ouchtak; Samira Dalbouha; Joel T Mague; Tuncer Hökelek; Lhoussaine El Ghayati; Nada Kheira Sebbar; Mohamed Labd Taha
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-08-31
  1 in total

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