Synthesis and Crystal Structure of the Perchlorate Salt of Diprotonated 2,3-Di-2-pyridyl-5-nitroquin

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The diprotonated perchlorate salt of 2,3-di-2-pyridyl-5-nitroquinoxaline [C18H13N5O2](ClO4)2((CH3OH)((C2H5OH) has been synthesized and characterized by elemental analysis, IR and NMR spectra. X-ray diffraction analysis at room temperature indicates that the title compound (C21H23N5O12Cl2, Mr = 608.34) crystallizes in triclinic, space group P ī with a = 7.992(8), b = 12.82(1), c = 13.42(1) (A), α= 104.77(2), β = 97.84(2), γ = 95.48(2), V = 1305(2) (A)3, Z = 2, Dc = 1.549 g/cm3, F(000) = 628 and ((MoK() = 0.317 mm-1. The final R and wR factors are 0.0566 and 0.1016, respectively with 4325 independent reflections. The quinoxaline ring makes the dihedral angles of 44.2(2) and 33.9(5)( with two protonated pyridine rings whose dihedral angle is 48.1(6)(. The favored orientation of two protonated pyridine rings is that their N atoms are opposite to each other. There exist intra- and inter-molecular N-H…O hydrogen bonds and π…π interactions which stabilize the structure further.
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