Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 1 (January 2013)


organic compounds



fn3116 scheme

Acta Cryst. (2013). C69, 70-73    [ doi:10.1107/S0108270112047257 ]

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-H...O hydrogen bond. Infinite one-dimensional head-to-tail chains formed by O-H...O hydrogen bonding are present in both structures. The molecular packing is mainly influenced by the intermolecular O-H...O interactions. Additionally, C-H...O interactions crosslinking the chains are found in (II).

Formula: Two isomers of C14H17NO5


hkldisplay filedownload file

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


hkldisplay filedownload file

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


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