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1-Phenyl-1H-pyrazole-4-carbaldehyde.

ABSTRACT: In the title mol-ecule, 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-actions as the carbonyl O atom accepts two such bonds. The dimeric aggregates are linked into supra-molecular layers in the ac plane by C-H?? and ?-? [ring centroid(pyrrole)?ring centroid(phen-yl) = 3.8058?(10)?Å] inter-actions.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3344042 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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1-Phenyl-1H-pyrazole-4-carbaldehyde.

Asiri Abdullah M AM Faidallah Hassan M HM Sobahi Tariq R TR Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120317 Pt 4

In the title mol-ecule, 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-actions as the carbonyl O atom accepts two such bonds. The dimeric aggregates are linked into supra-molecular layers in the ac plane by C-H⋯π and π-π [ring centroid(pyrrole)⋯ring centroid(phen-yl) = ...[more]

PMID: 22589951

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