Co-crystallization of 4-nitrophenol (I) with five aminopyridines (4-aminopyridine 1, 3,4-diaminopyridine 2, 2,3-diaminopyridine 3, 3-aminopyridine 4, 2-amino-6-methylpyridine 5) and 2,4-diaminopyrimidine 6 resulted in six adducts with the ratio of components 2 : 1 in five and 1 : 1 in one final compounds. Single crystals were grown by slow evaporation technique using ethanol as a solvent. Five adducts with 1-5 crystallize in acentric P2 1 and Pna2 1 space groups, and one, 2(I)?6 -in centrosymmetric P2 1 /c space group.Compounds 2(I)?1, 2(I)?2, 2(I)?3 are isomorphous, and demonstrate similar H-bonding patterns despite the differences in aminopyridine molecules. Compound 2(I)?5 is isomorphous to two previously reported compounds. Adducts 2(I)?1, 2(I)?2, 2(I)?3, 2(I)?5, 2(I)?6 represent organic salts composed of pyridinium/ pyrimidinium cation, 4-nitrophenolate anion, and 4-nitrophenol neutral molecule. The H-bonded 4-nitrophenol-4-nitrophenolate anionic dimers were found in all compounds with 2 : 1 molar ratio. In adduct I?4 both molecules are in neutral form. The IR spectral data support crystallographic conclusions on salts formation. Plane wave pseudopotential density functional theory calculations were used to predict hyperpolarizability tensor components. Our calculations suggest 2(I)?3 as the best candidate for nonlinear optical materials (14 times more active than urea). Recently, some success was achieved by co-crystallization of polar molecules with 1,2-bis(chloromercurio)tetrafluorobenzene where a strong intermolecular network is formed by the Hg and Cl atoms. 29,30 Several groups demonstrated enhance-
Mo(S 2 C 2 (CF 3) 2) 3 , 1a, has proven a useful p-dopant in organic electronics. To develop more soluble p-dopants, MoS 9 2was treated with alkynes CF 3 CCCO 2 Me and CF 3 CCCOCF 3 to give the dianions of the corresponding tris(dithiolene) complexes, 1b 2and 1c 2-, respectively, which were then oxidized to neutral molybdenum tris[1-(methoxycarbonyl)-2-(trifluoromethyl)-ethane-1,2-dithiolene], 1b, and molybdenum tris[1-(trifluoroethanoyl)-2-(trifluoromethyl)ethane-1,2-dithiolene], 1c, using NO + PF 6-. The crystal structures of (NEt 4 +) 2 1b 2-, (NEt 4 +) 2 1c 2-, and neutral 1c have been determined. In all three cases, the metal coordination is approximately trigonal prismatic and the
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