Abstract :
Single crystal of lumazine–sodium complex Na4(LM)2(H2O)12 (lumazineZpteridine-2,4(1H,3H)-dione) has been synthesized, and its
structure has been determined with XRD method. It crystallizes in the monoclinic system (space group C2/c) with cell dimensions:
aZ26.842(7), bZ6.6066(17), cZ17.942(4) A ° , bZ126.056(4)8. The structure was solved from 2265 independent reflections with IO2s(I).
The final R [IO2s(I)] was 0.0520 for 219 parameters. In its structure, every two Na2(LM)(H2O)6 units are connected to each other by two
water molecules coordinated to Na(1) and Na(1A) separately forming a Na(1)–O(1)–Na(1A)–O(3) plane quadrangle coordination structure.
And the formed dimers are linked by hydrogen bonds stacking the three-dimensional crystal structure. In IR spectra, the characteristic
vibrations of y(CaO) at 1683 and 1640 cmK1 are red-shifted, compared with those of Lumazine (yCaO 1716, 1701 cmK1). The fluorescence
properties of solid Na4(LM)2(H2O)12 is determined at room temperature, the maximal excitation peak appeared at 473 nm, and the
corresponding emission peak at 560 nm.
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