Dimethyl 1-(4-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate

作者：Xiao Jie; Zhao Hong^*

来源：Acta Crystallographica Section E-Structure Reports Online, 2009, 65(5): O1175-U3415.

DOI：10.1107/S1600536809015578

The title compound, C(15)H(13)N(3)O(4), was synthesized from dimethyl 1H-pyrazole-3,5-dicarboxylate and 4-(bromomethyl) benzonitrile. The interplanar angle between the pyrazole and cyanobenzyl ring planes is 71.74 (17)degrees and an intramolecular C-H center dot center dot center dot O interaction occurs. The crystal structure is stabilized by pi-pi stacking interactions between the neighbouring pyrazole and benzene rings [centroid-centroid distances of 3.5074 (16) and 3.9401 (15) A, respectively]. One of the methyl groups is disordered over two positions of equal occupancy.

• 出版日期2009-5
• 单位东南大学