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Dimethyl 1-(2-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate.

ABSTRACT: In the mol-ecule of the title compound, C(15)H(13)N(3)O(4), the dihedral angle between the pyrazole and benzene rings is 79.89 (6)°. An intra-molecular C-H⋯O hydrogen bond is present. The crystal structure is stabilized by π-π stacking inter-actions between centrosymmetrically related pyrazole rings with a centroid-centroid distance of 3.500 (3) Å.

SUBMITTER: Yao JY

PROVIDER: S-EPMC2977824 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

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Dimethyl 1-(2-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate.

Yao Ji-Yuan JY Xiao Jie J Zhao Hong H

Acta crystallographica. Section E, Structure reports online 20090430 Pt 5

In the mol-ecule of the title compound, C(15)H(13)N(3)O(4), the dihedral angle between the pyrazole and benzene rings is 79.89 (6)°. An intra-molecular C-H⋯O hydrogen bond is present. The crystal structure is stabilized by π-π stacking inter-actions between centrosymmetrically related pyrazole rings with a centroid-centroid distance of 3.500 (3) Å. ...[more]

PMID: 21583961

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