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Crystal structure of monoaquatetra(3,5-dimethylpyrazole)copper(II) nitrate [Cu(C5H8N2)4(H2O)](NO3)2

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Abstract

The crystal structure of monoaquatetra(3,5-dimethylpyrazole)copper(II) nitrate [Cu(C5H8N2)4(H2O)]×(NO3)2 is determined (Syntex P21 automated diffractometer, θ/2θ scan mode within the 2θ range 3–55° at a variable rate, Vmin=5 deg/min, λMoKα graphite monochromator, 5170/2349 measured/observed Ihk1, absorption taken into account experimentally, Raniso=0.069). The parameters of the monoclinic unit cell are as follows: a=23.569(4), b=8.177(2), c=17.250(6) Å, β=121.65(2)°, V=2830(2) Å3, Z=4C20H34CuN10O7, dcalc=1.388 g/cm3. The space group P21 was chosen by the process of structure solution and refinement. The structure is of island type. The complex cations [CuL4(H2O)]2+ and the (NO3)− anions form mixed layers in the planes parallel to (010) at y⋟0.36 and 0.87. The central atoms of two crystallographically independent complex cations [CuL4(H2O)]2+ are surrounded with five atoms (OH 2 O+4N) with average Cu−OH 2 O and Cu−N distances of 2.23(2) and 2.04(4), respectively, which form distorted trigonal bipyramids. The average bond lengths in the pyrazole rings are the following: N−N=1.40, N−C=1.40, (C−C)ring=1.42, and Cring−CMe=1.50 Å.

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Authors
  1. N. V. Pervukhina
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  2. N. V. Podberezskaya
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  3. L. G. Lavrenova
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Additional information

Institute of Inorganic Chemistry, Russian Academy of Sciences, Siberian Branch, Novosibirsk. Translated fromZhurnal Strukturnoi Khimii, Vol. 36, No. 1, pp. 157–167, January–February, 1995.

Translated by I. Izvekova

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Pervukhina, N.V., Podberezskaya, N.V. & Lavrenova, L.G. Crystal structure of monoaquatetra(3,5-dimethylpyrazole)copper(II) nitrate [Cu(C5H8N2)4(H2O)](NO3)2 . J Struct Chem 36, 138–145 (1995). https://doi.org/10.1007/BF02577761

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  • DOI: https://doi.org/10.1007/BF02577761

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