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, 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. Bo...
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International Union of Crystallography
2020-10-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989020012554 |
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doaj-c365355d03aa42508cd3435ea0b155f52020-11-25T03:05:20ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902020-10-0176101679168310.1107/S2056989020012554is5557Crystal 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}methanolManuel Stapf0Wilhelm Seichter1Monika Mazik2Technische Universität Bergakademie Freiberg, Leipziger Str. 29, D-09596 Freiberg/Sachsen, GermanyTechnische Universität Bergakademie Freiberg, Leipziger Str. 29, D-09596 Freiberg/Sachsen, GermanyTechnische Universität Bergakademie Freiberg, Leipziger Str. 29, D-09596 Freiberg/Sachsen, GermanyIn 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.http://scripts.iucr.org/cgi-bin/paper?S2056989020012554crystal structurestripodal moleculehydrogen bondingc—h...π and π–π interactions |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Manuel Stapf Wilhelm Seichter Monika Mazik |
| spellingShingle |
Manuel Stapf Wilhelm Seichter Monika Mazik 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 Acta Crystallographica Section E: Crystallographic Communications crystal structures tripodal molecule hydrogen bonding c—h...π and π–π interactions |
| author_facet |
Manuel Stapf Wilhelm Seichter Monika Mazik |
| author_sort |
Manuel Stapf |
| title |
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 |
| title_short |
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 |
| title_full |
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 |
| title_fullStr |
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 |
| title_full_unstemmed |
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 |
| title_sort |
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 |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E: Crystallographic Communications |
| issn |
2056-9890 |
| publishDate |
2020-10-01 |
| description |
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. |
| topic |
crystal structures tripodal molecule hydrogen bonding c—h...π and π–π interactions |
| url |
http://scripts.iucr.org/cgi-bin/paper?S2056989020012554 |
| work_keys_str_mv |
AT manuelstapf crystalstructuresofmonohydrateandmethanolsolvatecompoundsof135bis46dimethylpyridin2ylaminomethyl246triethylbenzylaminocyclopentylmethanol AT wilhelmseichter crystalstructuresofmonohydrateandmethanolsolvatecompoundsof135bis46dimethylpyridin2ylaminomethyl246triethylbenzylaminocyclopentylmethanol AT monikamazik crystalstructuresofmonohydrateandmethanolsolvatecompoundsof135bis46dimethylpyridin2ylaminomethyl246triethylbenzylaminocyclopentylmethanol |
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1724679102822088704 |