Crystal structure of [4-(2-methoxyphenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-5-yl](thiophen-2-yl)methanone

Abstract

The title compound, C[subscript 26]H[subscript 18]F[subscript 3]N[subscript 3]O[subscript 2]S, a 2-meth­oxy-substituted derivative, is closely related to its 4-methyl- and 4-chloro-substituted analogues and yet displays no structural relationships with them. The thio­phene ring is disorder free and the -CF[subscript 3] group exhibits disorder, respectively, in contrast and similar to that observed in the 4-methyl- and 4-chloro-substituted derivatives. The torsion angle which defines the twist of the thio­phene ring is -69.6 (2)° (gauche) in the title compound, whereas it is anti­clinal in the 4-methyl- and 4-chloro-substituted derivatives, with respective values of 99.9 (2) and 99.3 (2)°. The absence of disorder in the thio­phene ring facilitates one of its ring C atoms to participate in the lone inter­molecular C-H...O hydrogen bond present in the crystal, leading to a characteristic C(5) chain graph-set motif linking mol­ecules related through glides along [010]. An intra­moleculr C-H...N hydrogen bond also occurs.