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Crystal structures of monohydrate and methanol solvate compounds of {1-[(3,5-bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol

In the title monohydrate compound, 1a, and the methanol solvate compound, 1b, the tri­ethyl­benzene derivative, C(35)H(51)N(5)O, has three functionalized side arms and three ethyl groups, the former being located on one side of the central benzene ring, while the latter are directed to the opposite...

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Detalles Bibliográficos
Autores principales: Stapf, Manuel, Seichter, Wilhelm, Mazik, Monika
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7534252/
https://www.ncbi.nlm.nih.gov/pubmed/33117589
http://dx.doi.org/10.1107/S2056989020012554
Descripción
Sumario:In the title monohydrate compound, 1a, and the methanol solvate compound, 1b, the tri­ethyl­benzene derivative, C(35)H(51)N(5)O, has three functionalized side arms and three ethyl groups, the former being located on one side of the central benzene ring, while the latter are directed to the opposite side. Both the crystals are constructed of structurally similar dimers of 1:1 host–guest complexes held together by N—H⋯O and O—H⋯N hydrogen bonds, and in 1a additionally by O—H⋯O hydrogen bonds. The structure of 1b contains additional highly disordered solvent mol­ecules. Thus, the SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9–18] in PLATON was used to generate a modified data set, in which the contribution of the disordered mol­ecules to the structure amplitudes is eliminated. These solvent mol­ecules are not considered in the reported chemical formula.