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Crystal structure of 1-meth-oxy-2,2,2-tris-(pyrazol-1-yl)ethane.

ABSTRACT: The title compound, C12H14N6O, consists of three pyrazole rings bound via nitro-gen to the distal ethane carbon of meth-oxy ethane. The dihedral angles between the three pyrazole rings are 67.62 (14), 73.74 (14), and 78.92 (12)°. In the crystal, mol-ecules are linked by bifurcated C-H,H⋯N hydrogen bonds, forming double-stranded chains along [001]. 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.

SUBMITTER: Lyubartseva G

PROVIDER: S-EPMC4186097 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 1-meth-oxy-2,2,2-tris-(pyrazol-1-yl)ethane.

Lyubartseva Ganna G Parkin Sean S Coleman Morgan D MD Mallik Uma Prasad UP

Acta crystallographica. Section E, Structure reports online 20140823 Pt 9

The title compound, C12H14N6O, consists of three pyrazole rings bound via nitro-gen to the distal ethane carbon of meth-oxy ethane. The dihedral angles between the three pyrazole rings are 67.62 (14), 73.74 (14), and 78.92 (12)°. In the crystal, mol-ecules are linked by bifurcated C-H,H⋯N hydrogen bonds, forming double-stranded chains along [001]. 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) invers ...[more]

PMID: 25309218

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