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- W2004243354 abstract "(η5-C5H5)2TiCl2 shows significant antitumor activity and the title compound was investigated as a possible model for a species initially formed between titanocene dichloride and a purine base of DNA. The (η5-C5H5)2TiCl(C5H3N4) complex was prepared by refluxing the dichloride with purine in the presence of triethylamine in THF. The crystals are monoclinic, space group P21/c, a = 7.484(2) Å, b = 25.85(1) Å, c = 9.134(3) Å, β = 127.53(3)° and Z = 4 molecules per cell. The structure was refined on 1378 independent nonzero reflections to an R factor of 0.045. The unit cell contains individual molecules in which the basic features of titanocene dichloride are not profoundly affected. The rings show the usual ‘open clamshell’ arrangement. One of the Cl atoms has been replaced by the N9 atom of deprotonated purine. The purine moiety makes an angle of only 7.2° with the Cl—Ti—N9 plane, thus avoiding steric interference from the cyclopentadienyl rings. The structure is discussed in connection with the possibility of inter-and intra-strand crosslinking of DNA by a (η5-C5H5)2Ti unit binding to the bases." @default.
- W2004243354 created "2016-06-24" @default.
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- W2004243354 date "1984-07-01" @default.
- W2004243354 modified "2023-10-02" @default.
- W2004243354 title "Synthesis and crystal structure of chlorobis(η5-cyclopentadienyl)purinato titanium(IV), a model compound for the Interaction of the antitumor titanocene dichloride molecule with DNA bases" @default.
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- W2004243354 doi "https://doi.org/10.1016/s0020-1693(00)87758-0" @default.
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