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- W2519602974 abstract "C llH14N402, M r = 234.3, monoclinic, P2 in, a = 8.707 (2), b = 12.786 (4), c= 10.643 (3) A, t= 102.89(2) ° , V= 1155.0(5)A 3, z=4, Dx= 1.35 gcm -3, 2(Mo Ka) =0.71069 A, ~= 0.59 cm -~, F(000) = 496, room temperature, R = 0.034 for 1268 unique reflections. The extended conformation of the molecule prevents any intramolecular photocyclo- addition of thymine and imidazole C=C double bonds in the crystal (the shortest distance between the mid- points of C=C and C=N double bonds is 3.549 (3) A). Introduction. The photochemistry of purine-pyrimidine dinucleotides and their analogues in aqueous solution has grown in interest in the last few years (Bose, Davies, Sethi & McCloskey, 1983; Bose, Kumar, Davies, Sethi & McCloskey, 1984; Bose & Davies, 1984; Wenska, Paszyc & Skalski, 1983; Wenska, 1985). However, the available information concerning the possibility of photocycloaddition of purine to pyrimidine and the stability of the resulting photodimers is still limited and ambiguous. Thus further structural data are needed to shed more light on these problems. Irradiation with UV light of an aqueous solution of the title compound leads to a cyclobutane product resulting from cycloaddition of imidazole and thymine C=C double bonds (Wenska, 1985). The product of this photoreaction has a cis-syn configuration (Gdaniec, Wenska & Koziol, 1985). This X-ray study of the title compound was undertaken to determine the conformation of this compound in the crystal and investigate whether or not a solid-state photoreaction might lead to a similar product of intramolecular photocycloaddition." @default.
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- W2519602974 date "1986-01-01" @default.
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- W2519602974 title "Structure of l-(3-(Imidazol- l-yl)propyl)thymine" @default.
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