Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 1 (January 2013)

organic compounds

 

Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates

A. Ilangovan, P. Venkatesan and R. Ganesh Kumar

Abstract: Diethyl 2-[(2-hydroxyanilino)methylidene]malonate, (I), and diethyl 2-[(4-hydroxyanilino)methylidene]malonate, (II), both C₁₄H₁₇NO₅, crystallize in centrosymmetric orthorhombic and monoclinic crystal systems, respectively. Compound (I) resides on a crystallographic mirror plane and displays bifurcated intramolecular hydrogen bonding, as well as intermolecular hydrogen bonding due to the position of the hydroxy group. Compound (II) has a single intramolecular N-HO hydrogen bond. Infinite one-dimensional head-to-tail chains formed by O-HO hydrogen bonding are present in both structures. The molecular packing is mainly influenced by the intermolecular O-HO interactions. Additionally, C-HO interactions crosslinking the chains are found in (II).

Formula: Two isomers of C₁₄H₁₇NO₅

	Structure factor file (CIF format) (83.3 kbytes) [ doi:10.1107/S0108270112047257/fn3116Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (161.7 kbytes) [ doi:10.1107/S0108270112047257/fn3116IIsup3.hkl ] Contains datablock 1

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