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2-(4-tert-Butylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline sesquihydrate
In the title compound, C(23)H(20)N(4)·1.5H(2)O, the mean planes of the imidazo[4,5-f][1,10]phenanthroline system and the benzene ring make a dihedral angle of 21.76 (2)°. One water O atom lies on a twofold rotation axis. The organic molecules and water molecules are linked via N—H⋯O, O—H⋯N and O—H...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969225/ https://www.ncbi.nlm.nih.gov/pubmed/21582774 http://dx.doi.org/10.1107/S1600536809020261 |
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author | Zheng, Chun-Yang Sun, Ting-Quan |
author_facet | Zheng, Chun-Yang Sun, Ting-Quan |
author_sort | Zheng, Chun-Yang |
collection | PubMed |
description | In the title compound, C(23)H(20)N(4)·1.5H(2)O, the mean planes of the imidazo[4,5-f][1,10]phenanthroline system and the benzene ring make a dihedral angle of 21.76 (2)°. One water O atom lies on a twofold rotation axis. The organic molecules and water molecules are linked via N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds. Weak intermolecular C—H⋯N hydrogen bonds and π–π stacking interactions between inversion-related phenanthroline rings complete the three-dimensional hydrogen-bonding network in the crystal structure. The stacking distance is short at 3.513 (2) Å and the perpendicular distance between the rings is 3.355 Å. The three methyl groups are disordered over two positions, with a site-occupancy ratio of 0.875 (14):0.125 (14). |
format | Text |
id | pubmed-2969225 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29692252010-12-30 2-(4-tert-Butylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline sesquihydrate Zheng, Chun-Yang Sun, Ting-Quan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(23)H(20)N(4)·1.5H(2)O, the mean planes of the imidazo[4,5-f][1,10]phenanthroline system and the benzene ring make a dihedral angle of 21.76 (2)°. One water O atom lies on a twofold rotation axis. The organic molecules and water molecules are linked via N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds. Weak intermolecular C—H⋯N hydrogen bonds and π–π stacking interactions between inversion-related phenanthroline rings complete the three-dimensional hydrogen-bonding network in the crystal structure. The stacking distance is short at 3.513 (2) Å and the perpendicular distance between the rings is 3.355 Å. The three methyl groups are disordered over two positions, with a site-occupancy ratio of 0.875 (14):0.125 (14). International Union of Crystallography 2009-06-06 /pmc/articles/PMC2969225/ /pubmed/21582774 http://dx.doi.org/10.1107/S1600536809020261 Text en © Zheng and Sun 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Zheng, Chun-Yang Sun, Ting-Quan 2-(4-tert-Butylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline sesquihydrate |
title | 2-(4-tert-Butylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline sesquihydrate |
title_full | 2-(4-tert-Butylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline sesquihydrate |
title_fullStr | 2-(4-tert-Butylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline sesquihydrate |
title_full_unstemmed | 2-(4-tert-Butylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline sesquihydrate |
title_short | 2-(4-tert-Butylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline sesquihydrate |
title_sort | 2-(4-tert-butylphenyl)-1h-imidazo[4,5-f][1,10]phenanthroline sesquihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969225/ https://www.ncbi.nlm.nih.gov/pubmed/21582774 http://dx.doi.org/10.1107/S1600536809020261 |
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