Title of article
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
Author/Authors
Stapf, Manuel Technische Universität Bergakademie Freiberg, Germany , Seichter, Wilhelm Technische Universität Bergakademie Freiberg, Germany , Mazik, Monika Technische Universität Bergakademie Freiberg, Germany
Pages
22
From page
1
To page
22
Abstract
In the title monohydrate compound, 1a, and the methanol solvate compound, 1b, the triethylbenzene derivative, C35H51N5O, 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[Spek, A. L. (2015). Acta Cryst. C71, 9-18.]). 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.
Keywords
crystal structures , tripodal molecule , hydrogen bonding , C—H⋯π and π–π interactions
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2020
Record number
2622870
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