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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
- 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