Key indicatorsSingle-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.038 wR factor = 0.109 Data-to-parameter ratio = 19.6For details of how these key indicators were automatically derived from the article, see
The new crystal structure analysis of the title compound, [Cu(NO3)(C5H8N2)(C14H23N5O)]NO3, reveals that the copper(II) ion lies in a distorted octahedral environment, with four N atoms in the equatorial plane and two O atoms at the axial positions. The O atoms of the nitrate group are involved in intra‐ and intermolecular hydrogen bonding.
The crystal structure of the title compound, C18H23N5O.H2O, shows molecules containing a phenol group linked perpendicularly to a roughly planar fragment comprising two pyrazole rings. Molecules are stacked perpendicular to the [101] direction, with their phenol groups disposed alternately. The molecular packing in the crystal is stabilized by hydrogen bonding involving water molecules.
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