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2-(4-tert-Butyl-phen-yl)-1H-imidazo[4,5-f][1,10]phenanthroline sesquihydrate.

ABSTRACT: 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 ?-? 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).

SUBMITTER: Zheng CY 

PROVIDER: S-EPMC2969225 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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2-(4-tert-Butyl-phen-yl)-1H-imidazo[4,5-f][1,10]phenanthroline sesquihydrate.

Zheng Chun-Yang CY   Sun Ting-Quan TQ  

Acta crystallographica. Section E, Structure reports online 20090606 Pt 7

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 th  ...[more]

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