Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 11 (November 2004)

ga1078 scheme

Acta Cryst. (2004). C60, o806-o809 [doi:10.1107/S0108270104022723]

3,5-Bis(4-methoxybenzylidene)-1-methyl-4-piperidone and 3,5-bis(4-methoxybenzylidene)-1-methyl-4-oxopiperidinium chloride: potential biophotonic materials

V. N. Nesterov

Abstract: In the title compound 3,5-bis(4-methoxybenzylidene)-1-methyl-4-piperidone, C₂₂H₂₃NO₃, (I), the central heterocyclic ring adopts a flattened boat conformation, while in the related salt 3,5-bis(4-methoxybenzylidene)-1-methyl-4-oxopiperidinium chloride, C₂₂H₂₄NO₃⁺·Cl^-, (II), the ring exhibits a `sofa' conformation in which the N atom deviates from the planar fragment. The pendant benzene rings are twisted from the heterocyclic ring planes in both molecules in the same direction, the range of dihedral angles between the ring planes being 24.5 (2)-32.7 (2)°. The dominant packing motif in (I) involves centrosymmetric dimers bound by weak intermolecular C-HO hydrogen bonds. In (II), cations and anions are linked by strong N-HCl hydrogen bonds, while weak C-HO and C-HCl hydrogen bonds link the cations and anions into a three-dimensional framework.

Formula: C₂₂H₂₃NO₃ and C₂₂H₂₄NO₃⁺·Cl^-

Online 22 October 2004


	Structure factor file (CIF format) (155.4 kbytes) Contains datablock I

	Structure factor file (CIF format) (186.9 kbytes) Contains datablock II

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