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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...

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Detalles Bibliográficos
Autores principales: Asiri, Abdullah M., Faidallah, Hassan M., Sobahi, Tariq R., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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
Descripción
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.