Abstract
There are two crystallographically independent molecules in the asymmetric unit of the title compound, C18H12Br2N2O. In each molecule, one of the bromophenyl rings lies almost in the plane of pyrazole unit [dihedral angles of 5.8 (3)° in the first molecule and and 5.1 (3)° in the second] while the other ring is approximately perpendicular to it [dihedral angles of 80.3 (3) and 76.5 (3)°]. The crystal packing shows intermolecular C—H⋯O interactions. The crystal studied was a racemic twin.
Highlights
Bruker Kappa APEXII diffractometerRefinement a Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India, and bDepartment of Organic Chemistry, School of Chemistry, Madurai Kamaraj University, Madurai 625 021, India
There are two crystallographically independent molecules in the asymmetric unit of the title compound, C18H12Br2N2O
One of the bromophenyl rings lies almost in the plane of pyrazole unit [dihedral angles of 5.8 (3) in the first molecule and and 5.1 (3) in the second] while the other ring is approximately perpendicular to it [dihedral angles of 80.3 (3)
Summary
Refinement a Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India, and bDepartment of Organic Chemistry, School of Chemistry, Madurai Kamaraj University, Madurai 625 021, India. There are two crystallographically independent molecules in the asymmetric unit of the title compound, C18H12Br2N2O. One of the bromophenyl rings lies almost in the plane of pyrazole unit [dihedral angles of 5.8 (3) in the first molecule and and 5.1 (3) in the second] while the other ring is approximately perpendicular to it [dihedral angles of 80.3 (3). The crystal studied was a racemic twin. For the pharmacological and medicinal properties of pyrazole derivatives, see: Baraldi et al (1998); Bruno et al (1990); Cottineau et al (2002); Londershausen (1996); Chen & Li (1998); Mishra et al (1998); Smith et al (2001). For hydrogen-bond motifs, see: Bernstein et al (1995)
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