2011Acta Crystallographica Section E Structure Reports OnlineOpen access

3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

Hoong‐Kun Fun, Suhana Arshad, Shridhar Malladi, R. Selvam, Arun M. Isloor

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Abstract

In the title compound, C(16)H(11)ClN(2)O, the chloro-substituted phenyl ring is disordered over two positions with refined site occupancies of 0.503 (2) and 0.497 (2). The dihedral angle between the pyrazole and phenyl rings is 7.93 (7)°. The pyrazole ring also forms dihedral angles of 24.43 (9)° and 28.67 (9)° with the disordered chloro-substituted benzene ring. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds, generating R(2) (1)(7) and R(2) (2)(10) ring motifs. π-π inter-actions between the pyrazole and phenyl rings [centroid-centroid distance = 3.758 (1) Å] further stabilize the crystal structure.

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What this paper is about

In the title compound, C(16)H(11)ClN(2)O, the chloro-substituted phenyl ring is disordered over two positions with refined site occupancies of 0.503 (2) and 0.497 (2). The dihedral angle between the pyrazole and phenyl rings is 7.93 (7)°. The pyrazole ring also forms dihedral angles of 24.43 (9)° and 28.67 (9)° with the disordered chloro-substituted benzene ring. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds, generating R(2) (1)(7) and R(2) (2)(10) ring motifs. π-π inter-actions between the pyrazole and phenyl rings [centroid-centroid distance = 3.758 (1) Å] further stabilize the crystal structure.

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Available abstract

In the title compound, C(16)H(11)ClN(2)O, the chloro-substituted phenyl ring is disordered over two positions with refined site occupancies of 0.503 (2) and 0.497 (2). The dihedral angle between the pyrazole and phenyl rings is 7.93 (7)°. The pyrazole ring also forms dihedral angles of 24.43 (9)° and 28.67 (9)° with the disordered chloro-substituted benzene ring. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds, generating R(2) (1)(7) and R(2) (2)(10) ring motifs. π-π inter-actions between the pyrazole and phenyl rings [centroid-centroid distance = 3.758 (1) Å] further stabilize the crystal structure.

Key concepts: Pyrazole, Dihedral angle, Ring (chemistry), Benzene, Hydrogen bond, Chemistry, Crystallography, Crystal (programming language)

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