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1,3-Diphenyl-1H-pyrazole-4-carbaldehyde.

ABSTRACT: There are four mol-ecules in the asymmetric unit of the title compound, C(16)H(12)N(2)O. The dihedral angle between the phenyl rings in the mol-ecules are 22.2?(2), 22.4?(2), 25.1?(3) and 41.9?(2)°. In the crystal, mol-ecules form dimers due to inter-molecular C-H?O hydrogen bonds, which result in one R(2) (2)(10) and two R(2) (1)(7) ring motifs. Weak aromatic ?-? stacking [centroid-centroid separation = 3.788?(3)?Å] and C-H?? inter-actions may also consolidate the packing.

SUBMITTER: Ather AQ

PROVIDER: S-EPMC3011511 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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1,3-Diphenyl-1H-pyrazole-4-carbaldehyde.

Ather Abdul Qayyum AQ Tahir M Nawaz MN Khan Misbahul Ain MA Mehmood Karamat K Chaudhry Faryal F

Acta crystallographica. Section E, Structure reports online 20101113 Pt 12

There are four mol-ecules in the asymmetric unit of the title compound, C(16)H(12)N(2)O. The dihedral angle between the phenyl rings in the mol-ecules are 22.2 (2), 22.4 (2), 25.1 (3) and 41.9 (2)°. In the crystal, mol-ecules form dimers due to inter-molecular C-H⋯O hydrogen bonds, which result in one R(2) (2)(10) and two R(2) (1)(7) ring motifs. Weak aromatic π-π stacking [centroid-centroid separation = 3.788 (3) Å] and C-H⋯π inter-actions may also consolidate the packing. ...[more]

PMID: 21589466

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