Abstract
In the title compound, C16H11ClN2O, 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, molecules are linked by intermolecular C—H⋯O hydrogen bonds, generating R 2 1(7) and R 2 2(10) ring motifs. π–π interactions between the pyrazole and phenyl rings [centroid–centroid distance = 3.758 (1) Å] further stabilize the crystal structure.
Highlights
Mo K radiationUniversiti Sains Malaysia (USM), Penang, Malaysia, and bDepartment of Chemistry, National Institute of Technology-Karnataka, Surathkal, Mangalore 575 025, India Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.002 Å; disorder in main residue; R factor = 0.040; wR factor = 0.098; data-to-parameter ratio = 17.7
C16H11ClN2O, the chloro-substituted phenyl ring is disordered over two positions with refined site occupancies of 0.503 (2) and 0.497 (2)
For stability of the temperature controller used in the data collection, see: Cosier & Glazer
Summary
USM, Penang, Malaysia, and bDepartment of Chemistry, National Institute of Technology-Karnataka, Surathkal, Mangalore 575 025, India Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.002 Å; disorder in main residue; R factor = 0.040; wR factor = 0.098; data-to-parameter ratio = 17.7.
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