Abstract
(I) 3-methyl-6-phenyl-1, 2, 4-triazolo[4,3-b]pyridazine, SR95199, C12H10N4,M r=210.2, monoclinic,P21/n,D x=1.36 g cm−3,\(\bar \alpha\), =1.54178 Å,F(000)=440,T=293 K, finalR=0.049, (II) 3-methyl-7-phenyl-1, 2, 4-triazolo[4,3-b]pyridazine, SR95195, C12H10N4,M r=210.2, monoclinic,P21/n,D x=1.37 g cm−3, Cu\(\bar \alpha\), =1.54178Å,F(000)=440,T=293 K, finalR=0.039. The electronic characteristics of the triazolopyridazinic system, as determined by STO-3G molecular orbital (MO) calculations, do not vary as function of the position of the phenyl substituent.
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Boulanger, T., Ledent, L., Norberg, B. et al. Molecular structure and electronic populations of two ligands for the benzodiazepine receptor sites: 3-methyl-6-phenyl- and 3-methyl-7-phenyl-1,2,4-triazolo[4,3-b]pyridazines, SR95199 and SR95195; x-ray diffraction analysis andab initio MO calculations. Journal of Crystallographic and Spectroscopic Research 19, 399–410 (1989). https://doi.org/10.1007/BF01194135
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DOI: https://doi.org/10.1007/BF01194135