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Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth-yl]benzoate.

ABSTRACT: In the title mol-ecule, C13H14N2O2, the dihedral angle between the pyrazole and benzene ring mean planes is 76.06?(11)°, and the conformation of the ethyl side chain is anti [C-O-C-C = -175.4?(3)°]. In the crystal, the only directional inter-actions are very weak C-H ?? inter-actions involving both the pyrazole and benzene rings, leading to the formation of a three-dimensional network.

SUBMITTER: Wang JX

PROVIDER: S-EPMC4257449 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth-yl]benzoate.

Wang Ju-Xian JX Feng Chao C

Acta crystallographica. Section E, Structure reports online 20141126 Pt 12

In the title mol-ecule, C13H14N2O2, the dihedral angle between the pyrazole and benzene ring mean planes is 76.06 (11)°, and the conformation of the ethyl side chain is anti [C-O-C-C = -175.4 (3)°]. In the crystal, the only directional inter-actions are very weak C-H ⋯π inter-actions involving both the pyrazole and benzene rings, leading to the formation of a three-dimensional network. ...[more]

PMID: 25553050

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