Acta Cryst. (2010). E66, o1015  [ doi:10.1107/S1600536810011700 ]

Propane-1,3-diyl bis(pyridine-4-carboxylate)

I. Brito, J. Vallejos, M. Bolte, M. López-Rodríguez and A. Cárdenas

Abstract: The title compound. C₁₅H₁₄N₂O₄, (I), has a gauche-gauche (O/C/C/C-O/C/C/C or GG) conformation and is a positional isomer of propane-1,3-diyl bis(pyridine-3-carboxylate), (II). The molecule of (I) lies on a twofold rotation axis, which passes through the central C atom of the aliphatic chain, giving one half-molecule per asymmetric unit. There is excellent agreement of the geometric parameters of (I) and (II). The most obvious differences between them are the O/C/C/C-O/C/C/C torsion angles [56.6 (2)° in (I) and 174.0 (3)/70.2 (3)° in (II) for GG and TG conformations, respectively] and the dihedral angle between the planes of the aromatic rings [80.3 (10)° in (I) and 76.5 (3)° in (II)]. The crystal structure is stabilized by weak C-H N and C-H O hydrogen bonding.

Online 2 April 2010

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