Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 4 (April 2009)

organic compounds

Acta Cryst. (2009). C65, o146-o150 [ doi:10.1107/S0108270109003242 ]

Inter-ring and endo anomeric effects, and hydrogen-bonded supramolecular motifs in two 2,4,6,8-tetraazabicyclo[3.3.0]octane derivatives

Z. Zhang, J. Wang, G. Zhang and J. Li

Abstract: In 2,4,6,8-tetrakis(4-chlorophenyl)-2,4,6,8-tetraazabicyclo[3.3.0]octane, C₂₈H₂₂Cl₄N₄, the imidazolidine rings adopt envelope conformations, which are favoured by two equal endo anomeric effects. The molecule lies on a crystallographic twofold axis and molecules are linked into a three-dimensional framework via two C-HCl hydrogen bonds. In 2,4,6,8-tetrakis(4-methoxyphenyl)-2,4,6,8-tetraazabicyclo[3.3.0]octane, C₃₂H₃₄N₄O₄, one of the methyl groups is disordered over two sets of sites and the same methyl group participates in an intermolecular C-HO hydrogen bond, which in turn causes a considerable deviation from the preferred conformation. There are two unequal inter-ring anomeric effects in the N-C-N groups. Molecules are linked into corrugated sheets by one C-H [pi] hydrogen bond and two independent C-HO hydrogen bonds involving methoxy groups.

Formula: C₂₈H₂₂Cl₄N₄ and C₃₂H₃₄N₄O₄


	Structure factor file (CIF format) (112.0 kbytes) [ doi:10.1107/S0108270109003242/fn3008IIsup2.hkl ] Contains datablock II

	Structure factor file (CIF format) (251.4 kbytes) [ doi:10.1107/S0108270109003242/fn3008IIIsup3.hkl ] Contains datablock III

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