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

Acta Crystallogr Sect E Struct Rep Online

School of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

Published: December 2014

AI Article Synopsis

  • The compound C13H14N2O2 has a dihedral angle of 76.06° between its pyrazole and benzene ring planes, indicating a specific spatial arrangement.
  • The ethyl side chain adopts an anti-conformation with a measured angle of -175.4°.
  • Weak C-H ⋯π interactions in the crystal structure involve both the pyrazole and benzene rings, contributing to a three-dimensional network formation.

Article 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 ⋯π inter-actions involving both the pyrazole and benzene rings, leading to the formation of a three-dimensional network.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257449PMC
http://dx.doi.org/10.1107/S1600536814025100DOI Listing

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