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Dimethyl 1-cyanomethyl-1H-pyrazole-3,5-dicarboxylate
The title molecule, C(9)H(9)N(3)O(4), 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 (1...
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2009
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969226/ https://www.ncbi.nlm.nih.gov/pubmed/21582910 http://dx.doi.org/10.1107/S160053680902306X |
| Sumario: | The title molecule, C(9)H(9)N(3)O(4), 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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