2-[3,5-Bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,6-bis(4-methoxyphenyl)pyrimidine

Rajni Kant,Vivek K Gupta,Kamini Kapoor,B Narayana,S Samshuddin

doi:10.1107/s1600536812030516

Abstract

In the title compound, C35H32N4O4, the pyrazole ring forms a dihedral angle of 15.04 (8)° with the adjacent pyrimidine ring. The pyrimidine ring forms dihedral angles of 9.95 (8) and 1.86 (7)° with its adjacent methoxy-substituted benzene rings, whereas the equivalent angles are 80.24 (9) and 11.55 (9)° for the pyrazole ring and its adjacent benzene rings. The crystal packing features π–π interactions, the centroid–centroid distance between the pyrimidine and methoxyphenyl rings being 3.604 (1) Å. The pyrazole ring is nearly planar, with a maximum deviation of 0.020 (3) Å for the –CH2– carbon.

Highlights

In the title compound, C35H32N4O4, the pyrazole ring forms a dihedral angle of 15.04 (8) with the adjacent pyrimidine ring
RK acknowledges the Department of Science and Technology for access to the single-crystal X-ray diffractometer sanctioned as a national facility under project No SR/S2/
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

Summary

Crystal data

X-ray Crystallography Laboratory, Post-Graduate Department of Physics and Electronics, University of Jammu, Jammu Tawi 180 006, India, and bDepartment of Studies in Chemistry, Mangalore University, Mangalagangotri 574 199, India. R factor = 0.052; wR factor = 0.145; data-to-parameter ratio = 14.8. C35H32N4O4, the pyrazole ring forms a dihedral angle of 15.04 (8) with the adjacent pyrimidine ring. 1.86 (7) with its adjacent methoxy-substituted benzene rings, whereas the equivalent angles are 80.24 (9) and 11.55 (9) for the pyrazole ring and its adjacent benzene rings. The crystal packing features – interactions, the centroid–centroid distance between the pyrimidine and methoxyphenyl rings being 3.604 (1) Å. The pyrazole ring is nearly planar, with a maximum deviation of 0.020 (3) Å for the –CH2– carbon

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Data collection

Graphite monochromator