The title compound, C12H14N6O, consists of three pyrazole rings bound via nitrogen to the distal ethane carbon of methoxy ethane. The dihedral angles between the three pyrazole rings are 67.62 (14), 73.74 (14), and 78.92 (12)°. In the crystal, molecules are linked by bifurcated C—H,H⋯N hydrogen bonds, forming double-stranded chains along . The chains are linked via C—H⋯O hydrogen bonds, forming a three-dimensional framework structure. The crystal was refined as a perfect (0.5:0.5) inversion twin.
Digital Object Identifier (DOI)
GL is grateful to the Southern Arkansas University Faculty Research Grant for financial support.
CCDC reference: 1019968
Lyubartseva, Ganna; Parkin, Sean; Coleman, Morgan D.; and Mallik, Uma Prasad, "Crystal Structure of 1-methoxy-2,2,2-tris(pyrazol-1-yl)ethane" (2014). Chemistry Faculty Publications. 31.
Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536814018789/su2774sup1.cif
e-70-o1047-Isup2.hkl (161 kB)
Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814018789/su2774Isup2.hkl
e-70-o1047-Isup3.cml (5 kB)
Supporting information file. DOI: 10.1107/S1600536814018789/su2774Isup3.cml
e-70-o1047-fig1.tif (1413 kB)
View of molecular structure of the title molecule, with atom labelling. Displacement ellipsoids are drawn at the 50% probability level. H atoms have been omitted for clarity. DOI: 10.1107/S1600536814018789/su2774fig1.tif
fig(2).pptx (930 kB)
Fig. 1: View of molecular structure of the title molecule, with atom labelling. Displacement ellipsoids are drawn at the 50% probability level. H atoms have been omitted for clarity.