6533b82cfe1ef96bd129003b

RESEARCH PRODUCT

Bis[3-methyl-5-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide methanol hemisolvate

Natalia O. SharkinaAnatoly A. KapshukMaksym SeredukElzbieta Gumienna-kontecka

subject

Crystallography010405 organic chemistryHydrogen bondSolvationGeneral ChemistryPyrazoleDihedral angle010402 general chemistryCondensed Matter PhysicsBioinformaticsOrganic Papers01 natural sciences3. Good health0104 chemical scienceschemistry.chemical_compoundCrystallographyMolecular geometrychemistryQD901-999SelenidePyridineMoleculeGeneral Materials Science

description

The asymmetric unit of the title compound, C18H16N6Se·0.5CH3OH, contains two independent molecules of bis[3-methyl-5-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide with similar C—Se—C bond angles [99.30 (14) and 98.26 (13)°], and a methanol molecule of solvation. In one molecule, the dihedral angles between pyrazole and neighbouring pyridine rings are 18.3 (2) and 15.8 (2)°, and the corresponding angles in the other molecule are 13.5 (2) and 8.3 (2)°. In the crystal, the selenide and solvent molecules are linked by classical O—H...N and N—H...N hydrogen bonds, as well as by weak C—H...O and C—H...π interactions, forming a three-dimensional supramolecular architecture.

yearjournalcountryeditionlanguage
2014-02-01Acta Crystallographica Section E Structure Reports Online
https://doi.org/10.1107/s1600536813034624