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3-(4-Chloro-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde.

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. ?-? inter-actions between the pyrazole and phenyl rings [centroid-centroid distance = 3.758?(1)?Å] further stabilize the crystal structure.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3151838 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other

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3-(4-Chloro-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde.

Fun Hoong-Kun HK   Arshad Suhana S   Malladi Shridhar S   Selvam R R   Isloor Arun M AM  

Acta crystallographica. Section E, Structure reports online 20110625 Pt 7

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-  ...[more]

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