Abstract

Abstract The crystal structure of (1-allyl-3,5-dimethylpyrazole) copper (I) chloride, CuCl(C8H12N2), has been determined by the three-dimensional X-ray analysis. The crystal is triclinic, space group P\bar1; a=8.442(4), b=8.873(6), c=8.112(3) Å, α=103.44(3), β=116.42(3), γ=63.37(3)° and Z=2. The structure was refined to an R value of 0.056 for 1196 collected reflections. The complex has a dimeric structure in which the copper(I) ion is surrounded quasi-tetrahedrally by two bridging chlorines, a pyrazole-nitrogen and the olefinic part of the allyl group. The C=C bond distance (1.34 Å) scarcely shows any increase upon coordination to the metal. The olefin plane is almost perpendicular to the Cu-olefin bond axis and shows no significant bendings of the olefinic atoms out of the plane.

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