Bis[3-methyl-5-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide methanol hemisolvate
| Autor: | Natalia O. Sharkina, Anatoly A. Kapshuk, Maksym Seredyuk, Elzbieta Gumienna-Kontecka |
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| Rok vydání: | 2014 |
| Předmět: |
Crystallography
010405 organic chemistry Hydrogen bond Solvation General Chemistry Pyrazole Dihedral angle 010402 general chemistry Condensed Matter Physics Bioinformatics Organic Papers 01 natural sciences 3. Good health 0104 chemical sciences chemistry.chemical_compound Molecular geometry chemistry QD901-999 Selenide Pyridine Molecule General Materials Science |
| Zdroj: | Acta Crystallographica Section E: Structure Reports Acta Crystallographica Section E, Vol 70, Iss 2, Pp o127-o128 (2014) |
| ISSN: | 1600-5368 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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