Dimethyl 1-cyano-methyl-1H-pyrazole-3,5-dicarboxyl-ate.
Acta Crystallogr Sect E Struct Rep Online
; 65(Pt 7): o1646, 2009 Jun 20.
Article
en En
| MEDLINE
| ID: mdl-21582910
ABSTRACT
The title mol-ecule, C(9)H(9)N(3)O(4), syhthesized from 1H-pyrazole-3,5-dicarboxylic acid and 2-bromo-acetonitrile, is approximately planar; the inter-planar angles between the pyrazole ring and the mean planes of the two carboxylate units and the cyanomethyl unit are 4.49â
(10), 5.56â
(9) and 5.03â
(19)°, respectively. In the crystal, inversion dimers linked by pairs of weak C-H â¯O bonds occur, and the packing is further stabilized by aromatic π-π stacking [centroid-centroid separation = 3.793â
(4)â
Å].
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Acta Crystallogr Sect E Struct Rep Online
Año:
2009
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Article