Synthesis, infrared and molecular structure of adamantane-1-ammonium picrate monohydrate : a derivative of the antiviral symmetrel.

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dc.contributor.authorNiquini Junior, Fabiano Mafia
dc.contributor.authorMoura, A. L. S.
dc.contributor.authorMachado, P. H.
dc.contributor.authorOliveira, Katia Mara de
dc.contributor.authorCorrea, Rodrigo de Souza
dc.date.accessioned2021-12-15T16:38:40Z
dc.date.available2021-12-15T16:38:40Z
dc.date.issued2020pt_BR
dc.description.abstractThe 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.pt_BR
dc.identifier.citationNIQUINI JÚNIOR, F. M. et al. Synthesis, infrared and molecular structure of adamantane-1-ammonium picrate monohydrate: a derivative of the antiviral symmetre. Crystallography Reports, v. 65, n. 6, p. 879-884, 2020. Disponível em: <https://link.springer.com/article/10.1134/S1063774520060231>. Acesso em: 10 jun. 2021.pt_BR
dc.identifier.doihttps://doi.org/10.1134/S1063774520060231pt_BR
dc.identifier.issn1562-689X
dc.identifier.urihttp://www.repositorio.ufop.br/jspui/handle/123456789/14244
dc.identifier.uri2https://link.springer.com/article/10.1134/S1063774520060231pt_BR
dc.language.isoen_USpt_BR
dc.rightsrestritopt_BR
dc.titleSynthesis, infrared and molecular structure of adamantane-1-ammonium picrate monohydrate : a derivative of the antiviral symmetrel.pt_BR
dc.typeArtigo publicado em periodicopt_BR
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