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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

Authors :
Manuel Stapf
Wilhelm Seichter
Monika Mazik
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 76, Iss 10, Pp 1679-1683 (2020)
Publication Year :
2020
Publisher :
International Union of Crystallography, 2020.

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). 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.

Details

Language :
English
ISSN :
20569890
Volume :
76
Issue :
10
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
edsdoj.365355d03aa42508cd3435ea0b155f5
Document Type :
article
Full Text :
https://doi.org/10.1107/S2056989020012554