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1981 (1)
1Author    Bogdan Lesyng, W. Olfram SaengerRequires cookie*
 Title    Influence of Crystal Packing Forces on Molecular Structure in 4-Thiouridine. Comparison of anti and syn Forms  
 Abstract    4-thiouridine crystallizes from butyric acid in the form of yellow needles, monoclinic space group P2 j with a = 10.136 (3), b = 4.843 (2), c = 11.257 (3) A, ß = 93.91 (5) °. The crystal structure was solved on the the basis of 895 X-ray counter data using direct methods and refined to a reliability index of R = 5.6%. 4-thiouridine is in the anti conformation, the torsion angle 0(1')-C(1')-N(1)-C(6) being 26.5°. Pseudorotation parameters Tmax = 41.1° and P = 15.7° refer to C(3')-endo (3E) envelope form of the ribose. The conformation about the C (5')-0(5') bond is gauche, gauche. The present structure is compared with the previous one, crystallized from water as sesquihydrate and existing as the syn conformer (W. Saenger and K. H. Scheit, J. Mol. Biol. 50, 153-169 (1970). The influence o f crystal packing forces on flexible molecules such as nucleosides is discussed. 
  Reference    Z. Naturforsch. 36c, 956 (1981); received July 6 1981 
  Published    1981 
  Keywords    4-Thiouridine, Crystal Packing Forces, Molecular Structures 
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 TEI-XML for    default:Reihe_C/36/ZNC-1981-36c-0956.pdf 
 Identifier    ZNC-1981-36c-0956 
 Volume    36