Crystal structure and Hirshfeld surface analysis of 5-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
نویسندگان
چکیده
منابع مشابه
Ethyl 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylate
In the title compound, C(16)H(20)N(2)O(2), the pyrazole ring is essentially planar [maximum deviation = 0.008 (2) Å] and is inclined at an angle of 82.82 (10)° with respect to the phenyl ring. The crystal packing is consolidated by pairs of inter-molecular C-H⋯O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers stacked along the a axis.
متن کاملRational Design, Synthesis and Computational Structure-Activity Relationship of Novel 3-(4-Chlorophenyl)-5-(3-Hydroxy-4-Ethoxyphenyl)-4,5-Dihydro-1H-Pyrazole-1-Carboxamide
Densely functionalized 3-(4-chlorophenyl)-5-(3-hydroxy-4-etoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide was synthesized in an expedient manner through specification and transamidation respectively, of ester-functionalized pyrazoles. This synthetic protocol allowed for three diversifying steps in which appendages on the pyrazole scaffold were adjusted to optimize inhibition of protein kina...
متن کاملCrystal structure of 3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbaldehyde
In the title compound, C15H13N3O, the pyrrolyl and phenyl rings make dihedral angles of 58.99 (5) and 34.95 (5)°, respectively, with the central pyrazole ring. In the crystal, weak, pairwise C-H⋯O inter-actions across centers of symmetry form dimers, which are further associated into corrugated sheets running approximately parallel to (100) via weak C-H⋯N inter-actions.
متن کاملHydrogen-bonded chains in 3-tert-butyl-5-[(4-methoxybenzyl)amino]-1-phenyl-1H-pyrazole and tetramolecular hydrogen-bonded aggregates in 5-[(benzotriazol-1-ylmethyl)(4-methoxybenzyl)amino]-3-tert-butyl-1-phenyl-1H-pyrazole.
The molecules of 3-tert-butyl-5-[(4-methoxybenzyl)amino]-1-phenyl-1H-pyrazole, C21H25N3O, are linked into simple C9 chains by a single C-H...N hydrogen bond. 5-[(Benzotriazol-1-ylmethyl)(4-methoxybenzyl)amino]-3-tert-butyl-1-phenyl-1H-pyrazole, C28H30N6O, crystallizes with Z' = 2 in the space group P2(1)/c. The molecules are weakly linked into centrosymmetric tetramolecular aggregates by a comb...
متن کامل1-(4-Methylphenylsulfonyl)-5-phenyl-4,5-dihydro-1H-pyrazole
The title compound, C(16)H(16)N(2)O(2)S, was synthesized by the reaction of 5-phenyl-4,5-dihydro-1H-pyrazole and 4-methyl-benzene-1-sulfonyl chloride. The five-membered pyrazoline ring is nearly planar, with a miximum deviation of 0.078 (2) Å.
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section E Crystallographic Communications
سال: 2019
ISSN: 2056-9890
DOI: 10.1107/s205698901901243x