Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 1 (January 2012)

organic compounds

hg5151 scheme

Acta Cryst. (2012). E68, o102 [ doi:10.1107/S160053681105272X ]

3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12]docosane-(naphthalen-1-yl)methanol (1/2)

J.-H. Choi, M. A. Subhan, K. S. Ryoo and S. W. Ng

Abstract: In the title co-crystal, C₂₀H₄₀N₄·2C₁₁H₁₀O, the macrocycle is generated by a crystallographic inversion centre. The N atoms show a pyramidal coordination, and the cyclohexane ring that is fused to the 14-membered C₁₀N₄ ring exists in a chair conformation, whereas the methyl substituent occupies an axial site. The (naphthalen-1-yl)methanol molecule forms an O-HN hydrogen bond to a cyclam N atom. The mean-square-plane passing through the 14-membered ring is approximately coplanar with the naphthalene fused-ring [dihedral angle = 6.6 (1)°].


	Hyper-Text Markup Language (HTML) file (71.8 kbytes) [ doi:10.1107/S160053681105272X/hg5151sup0.html ] Supplementary materials

	Chemical Markup Language (CML) file (14.5 kbytes) [ doi:10.1107/S160053681105272X/hg5151Isup3.cml ] Supplementary material

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