2-(4-tert-Butyl-phen-yl)-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 mol-ecules and water mol-ecules are linked via N-H⋯O, O-H⋯N and O-H...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2009-06, Vol.65 (Pt 7), p.o1471-o1471
Main Authors: Zheng, Chun-Yang, Sun, Ting-Quan
Format: Article
Language:English
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Organic Papers
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Summary: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 mol-ecules and water mol-ecules are linked via N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯N hydrogen bonds and π-π stacking inter-actions 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).
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536809020261