Diethyl [(2-chloroanilino)(1,3-diphenyl-1H-pyrazol-4-yl)methyl]phosphonate

G Suresh,V Sabari,A Nandakumar,S Aravindhan,P T Perumal

doi:10.1107/s1600536812051719

G Suresh, V Sabari + Show 3 more

Open Access

https://doi.org/10.1107/s1600536812051719

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Abstract

In the title compound, C26H27ClN3O3P, the mean plane of the central pyrazole ring forms a dihedral angle of 71.37 (14)° with the chlorophenyl ring. In the crystal, molecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers with R 2 2(10) ring motifs. The 3-phenyl ring is disordered with four C atoms occupying two sets of sites with an occupancy ratio of 0.748 (4):0.252 (4).

Highlights

In the title compound, C26H27ClN3O3P, the mean plane of the central pyrazole ring forms a dihedral angle of 71.37 (14) with the chlorophenyl ring
Molecules are linked by pairs of N—H O hydrogen bonds, forming inversion dimers with R22(10) ring motifs
Pyrazoles exhibit a variety of pharmacological properties for e.g antibacterial and anti-inflammatory activities (Sullivan et al, 2006; Patel et al, 2010)

Summary

Data collection

Refinement a Department of Physics, Presidency College (Autonomous), Chennai 600 005, India, and bOrganic Chemistry Laboratory, CLRI, Chennai, Tamilnadu, India. Key indicators: single-crystal X-ray study; T = 298 K; mean (C–C) = 0.004 Å; disorder in main residue; R factor = 0.045; wR factor = 0.135; data-to-parameter ratio = 12.4. C26H27ClN3O3P, the mean plane of the central pyrazole ring forms a dihedral angle of 71.37 (14) with the chlorophenyl ring. Molecules are linked by pairs of N—H O hydrogen bonds, forming inversion dimers with R22(10) ring motifs. The 3-phenyl ring is disordered with four C atoms occupying two sets of sites with an occupancy ratio of 0.748 (4):0.252 (4)

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Crystal data

Special details