Navegando por Autor "Moura, Ana Luiza S."
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Item N–H–O and weak interactions stabilizing the schiff base/picrate multicomponent salt.(2023) Niquini Junior, Fabiano Mafia; Machado, Pedro Henrique; Montilla Suárez, Jerica Margely; Moura, Ana Luiza S.; Correa, Rodrigo de SouzaHere, a new picrate salt containing a protonated Schiff base (SB) is presented. The new compound presents a high melting point (246-250 °C), compared to base free (99-101 °C), such as expected for a salt. Also, UV-Vis and infrared experiments were carried out to in order to confirm the presence of both components, a protonated SB and the picrate anion. The single-crystal X-ray diffraction reveals the formation of the new compound, containing an ion pair in the asymmetric unit. The intramolecular interactions and, mainly, the intermolecular interactions were explored in detail. The salt presents strong N–H…O hydrogen bonds and π–π stacking interactions stabilize the crystal self-assembly, differing from neutral SB which presents only weak interactions. Finally, we investigate the fluorescence properties and capability coordination with metals by Jobs method of the SB, however, no significant results were observed.Item Synthesis, infrared and molecular structure of adamantane-1-ammonium picrate monohydrate : a derivative of the antiviral symmetrel.(2020) Niquini Junior, Fabiano Mafia; Moura, Ana Luiza S.; Machado, Pedro Henrique; Oliveira, Katia Mara de; Correa, Rodrigo de SouzaThe synthesis, infrared, and crystal structure investigations of adamantane-1-ammonium picrate monohydrate, (C10H21N)(C6H2N3O7) ⋅ H2O, were performed. The title compound crystallizes in the space group P21/n with the monoclinic unit cell parameters: a = 12.7211(9) Å, b = 6.8233(4) Å, c = 21.4130(14) Å and β = 105.950(7)°, V = 1787.1(2) Å3 , Z = 4. The asymmetric unit of the studied compound consists of one Adamantane-1-ammonium cation, one water and one picrate anion with two disordered nitro groups. The molecules are connected by strong H-bonds. As can be seen, the ionic pair is linked through two bifurcate N–H⋅⋅⋅O hydrogen bonds, identified as N1–H1A⋅⋅⋅O1 and N1–H1A⋅⋅⋅O2, to form a dimer. Also, water mol ecule acts bridging two picrate molecules connected by O1w–H1w⋅⋅⋅O1 and O1w–H2w⋅⋅⋅O4. These interac tions form an infinite chain extended along the [101] direction. Finally, the main intermolecular contacts were analyzed based on Hirshfeld surfaces and their fingerprint plot.