Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 2 (February 2008)

organic compounds

Acta Cryst. (2008). C64, o73-o75 [ doi:10.1107/S0108270107067741 ]

3,5-Bis{3-[4-(dimethylamino)phenyl]prop-2-enylidene}-1-methyl-4-piperidone and 3,5-bis[3-(4-methoxyphenyl)prop-2-enylidene]-1-methyl-4-piperidone: potential biophotonic materials

V. N. Nesterov, L. N. Zakharov, S. S. Sarkisov, M. J. Curley and A. Urbas

Abstract: The structures of the title compounds, C₂₈H₃₃N₃O, (I), and C₂₆H₂₇NO₃, (II), together with their two-photon absorption properties and fluorescence activities are reported. Molecules of (II) reside on crystallographic mirror planes containing the piperidone C=O group and N-methyl H atoms. Because of the conjugation between the donor and acceptor parts, the central heterocycle in both (I) and (II) exhibits a flattened boat conformation, with deviations of the N atom and the opposite C atom from the planar fragment. The dihedral angles between the coplanar heterocyclic atoms and terminal C₆ rings are less than 20° in both (I) and (II). In (I), the N-methyl group of the ring occupies an equatorial position, but in (II) it is positioned in an axial site. In the crystal structure of (I), weak intermolecular C-H [pi] (arene) and C-HO steric contacts link the molecules along the a axis. In the crystal structure of (II), molecules form stacks along the b axis.

Formula: C₂₈H₃₃N₃O and C₂₆H₂₇NO₃


	Structure factor file (CIF format) (227.4 kbytes) [ doi:10.1107/S0108270107067741/gg3130Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (80.5 kbytes) [ doi:10.1107/S0108270107067741/gg3130IIsup3.hkl ] Contains datablock II

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