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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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Detalles Bibliográficos
Autores principales: Zheng, Chun-Yang, Sun, Ting-Quan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
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).
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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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