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1-[5-(Anthracen-9-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

ABSTRACT: In the title compound, C(25)H(20)N(2)O, the pyrazoline ring is nearly planar [maximum atomic deviation = 0.0254?(17)?Å]; but the anthracene ring system is distorted from a coplanar structure [maximum atomic deviation = 0.181?(3)?Å], the dihedral angle between the outer benzene rings being 10.68?(13)°. The pyrazoline ring is almost perpendicular to the mean plane of the anthracene ring system [dihedral angle = 76.94?(8)°], but nearly coplanar with the phenyl ring [dihedral angle = 1.63?(7)°]. ?-? stacking is observed between parallel benzene rings of adjacent anthracene units, the face-to-face distance being 3.27?(3)?Å. Weak intra-molecular C-H?N hydrogen bonding also occurs.

SUBMITTER: Wang ML

PROVIDER: S-EPMC3050129 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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1-[5-(Anthracen-9-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

Wang Ming-Liang ML Dong Bao-Li BL Li Yong-Hua YH

Acta crystallographica. Section E, Structure reports online 20101211 Pt 1

In the title compound, C(25)H(20)N(2)O, the pyrazoline ring is nearly planar [maximum atomic deviation = 0.0254 (17) Å]; but the anthracene ring system is distorted from a coplanar structure [maximum atomic deviation = 0.181 (3) Å], the dihedral angle between the outer benzene rings being 10.68 (13)°. The pyrazoline ring is almost perpendicular to the mean plane of the anthracene ring system [dihedral angle = 76.94 (8)°], but nearly coplanar with the phenyl ring [dihedral angle = 1.63 (7)°]. π-π ...[more]

PMID: 21522803

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