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1-Phenyl-1H-pyrazole-4-carbaldehyde
In the title molecule, C(10)H(8)N(2)O, the five- and six-membered rings form a dihedral angle of 10.14 (9)°. The aldehyde group is almost coplanar with the pyrazole ring to which it is connected [O—C—C—C torsion angle = −179.35 (17)°]. In the crystal, inversion dimers are linked by four C—H⋯O inter...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344042/ https://www.ncbi.nlm.nih.gov/pubmed/22589951 http://dx.doi.org/10.1107/S1600536812010896 |
Sumario: | In the title molecule, C(10)H(8)N(2)O, the five- and six-membered rings form a dihedral angle of 10.14 (9)°. The aldehyde group is almost coplanar with the pyrazole ring to which it is connected [O—C—C—C torsion angle = −179.35 (17)°]. In the crystal, inversion dimers are linked by four C—H⋯O interactions as the carbonyl O atom accepts two such bonds. The dimeric aggregates are linked into supramolecular layers in the ac plane by C—H⋯π and π–π [ring centroid(pyrrole)⋯ring centroid(phenyl) = 3.8058 (10) Å] interactions. |
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