Abstract
The title molecule, C9H9N3O4, syhthesized from 1H-pyrazole-3,5-dicarboxylic acid and 2-bromoacetonitrile, is approximately planar; the interplanar angles between the pyrazole ring and the mean planes of the two carboxylate units and the cyanomethyl unit are 4.49 (10), 5.56 (9) and 5.03 (19)°, respectively. In the crystal, inversion dimers linked by pairs of weak C—H ⋯O bonds occur, and the packing is further stabilized by aromatic π–π stacking [centroid–centroid separation = 3.793 (4) Å].
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More From: Acta Crystallographica Section E Structure Reports Online
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