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[16.4.0.07,12]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-H...N 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)°].


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