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Structures of Two Rotamers of the HCl Salt of 4-Methyl-2-[(1E)-[2-(quinolin-4-yl)hydrazin-1-ylidene]methyl]phenol: Different Supramolecular Arrays

Authors: Marcelle de Lima Ferreira, Bruce F. Milne, Marcus V. N. de Souza, Edward R. T. Tiekink, James L. Wardell and Solange M. S. V. Wardell

Ref.: Journal of Chemical Crystallography 44, 36-41 (2014)

Abstract: Crystallography reveals the rotomer in the salt isolated from EtOH solution has an anti disposition of the OH and imine-NH hydrogen atoms while that from EtOCH2CH2OH solution has a syn disposition. Both molecules have an E configuration about the C=N bond and are essentially planar (dihedral angles between aromatic groups = 2.4 (3)° and 6.42 (9)°, respectively). The anti-rotomer crystallizes in the monoclinic space group P21/n with a = 10.8795 (10) Å, b = 10.7730 (11) Å, c = 13.1257 (7) Å, λ = 104.806 (5)°, and Z = 4. The syn-rotomer crystallizes in the monoclinic space group C2/c with a = 14.4610 (5) Å, b = 11.3073 (5) Å, c = 17.8849 (7) Å, β = 91.904 (2)°, and Z = 8.

DOI: 10.1007/s10870-013-0481-3