| Literature DB >> 21583977 |
Abstract
The title compound, C(15)H(13)N(3)O(4), was synthesized from dimethyl 1H-pyrazole-3,5-dicarboxyl-ate and 4-(bromo-meth-yl)benzonitrile. The inter-planar angle between the pyrazole and cyano-benzyl ring planes is 71.74 (17)° and an intramolecular C-H⋯O interaction occurs. The crystal structure is stabilized by π-π stacking inter-actions between the neighbouring pyrazole and benzene rings [centroid-centroid distances of 3.5074 (16) and 3.9401 (15) Å, respectively]. One of the methyl groups is disordered over two positions of equal occupancy.Entities:
Year: 2009 PMID: 21583977 PMCID: PMC2977840 DOI: 10.1107/S1600536809015578
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368