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2012•Acta Crystallographica Section E Structure Reports OnlineOpen access

3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile

Hatem A. Abdel‐Aziz, Hazem A. Ghabbour, Suchada Chantrapromma, Hoong‐Kun Fun

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Abstract

The title compound, C(18)H(13)N(3)O, has a butterfly-like structure, in which the pyrazole ring forms dihedral angles of 59.31 (8) and 57.24 (8)° with the two phenyl rings. The dihedral angle between the two phenyl rings is 64.03 (8)°. The pyrazole ring and the C-C=O plane of the acetyl group are twisted slightly, making a dihedral angle of 7.95 (18)°. In the crystal, mol-ecules are linked through weak C-H⋯N and C-H⋯O inter-actions into a helical chain along the a-axis direction.

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What this paper is about

The title compound, C(18)H(13)N(3)O, has a butterfly-like structure, in which the pyrazole ring forms dihedral angles of 59.31 (8) and 57.24 (8)° with the two phenyl rings. The dihedral angle between the two phenyl rings is 64.03 (8)°. The pyrazole ring and the C-C=O plane of the acetyl group are twisted slightly, making a dihedral angle of 7.95 (18)°. In the crystal, mol-ecules are linked through weak C-H⋯N and C-H⋯O inter-actions into a helical chain along the a-axis direction.

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Available abstract

The title compound, C(18)H(13)N(3)O, has a butterfly-like structure, in which the pyrazole ring forms dihedral angles of 59.31 (8) and 57.24 (8)° with the two phenyl rings. The dihedral angle between the two phenyl rings is 64.03 (8)°. The pyrazole ring and the C-C=O plane of the acetyl group are twisted slightly, making a dihedral angle of 7.95 (18)°. In the crystal, mol-ecules are linked through weak C-H⋯N and C-H⋯O inter-actions into a helical chain along the a-axis direction.

Key concepts: Pyrazole, Medicinal chemistry, Chemistry

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