Crystal structure and Hirshfeld surface analysis of 5-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
Ayten R. Asgarova
Acta Crystallographica Section E: Crystallographic Communications · 2019
doi:10.1107/s205698901901243x (opens in a new tab)
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Abstract
In the title compound, C24H31N3O2, the mean plane of the central pyrazole ring [r.m.s. deviation = 0.095 Å] makes dihedral angles of 11.93 (9) and 84.53 (8)°, respectively, with the phenyl and benzene rings. There is a short intramolecular N—H...N contact, which generates an S(5) ring motif. In the crystal, pairs of N—H...O hydrogen bonds link inversion-related molecules into dimers, generating an R22(8) ring motif. The Hirshfeld surface analysis indicates that the most significant contribution involves H...H contacts of 68.6%
Abstract licence: CC BY
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