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In a study of 2-aminopyrimidine and 2-acetaminopyridine salts and co-crystals, it was concluded that distinction between salts and co-crystals can be made based on ¦¤DC-O distances from single crystal structures, since a carboxyl anion possesses two similar DC-O values, whereas a neutral carboxyl group possesses two distinctively different DC-O values. For the 2-aminopyrimidine systems, it was concluded that complexes with ∆DC-O<0.03 Å are salts, and complexes with ∆DC-O>0.08 Å are co-crystals. Recent studies suggested that X-ray photoelectron spectroscopy (XPS) sensitively determines the protonation state of nitrogen functional groups in the solid state, providing a means for distinguishing between co-crystals and salts of organic compounds.The presence of a C=NH peak in XPS allows assignment as a salt, while this peak is clearly absent for a theophylline co-crystal. Protonation of the C=N nitrogen has shifted the peak by 2.3 eV. СÃÃÓ¢Óï½Ï²î£¬Ï£ÍûÄܹ»µÃµ½¸÷λ´óÏÀµÄ°ïÖú£¬ÔÚÕâÀïÏÈлл¸÷λÀ²¡£ |
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