1,3,4-Triphenyl-7-trifluoromethyl-1H-pyrazolo[3,4-b]quinoline at 293 and 100 K

Abstract

In the structure of the title compound, C(29)H(18)F(3)N(3), belonging to the space group P6(5) (or P6(1)), three symmetry-independent molecules are arranged in two chains, with two molecules alternating along the 3(2) axes, whereas the remaining molecule forms a chain along [0001] due to the 6(5) screw axis. The conformation of each of the molecules is stabilized by an intramolecular C-H...N hydrogen bond, with C...N distances in the range 2.964 (6)-3.069 (5) A at room temperature (293 K) and 2.943 (4)-3.084 (4) A at low temperature (100 K). One molecule has its -CF(3) group ordered even at 293 K, which can be explained only by considering its involvement in two weak intermolecular C-H...F interactions, with C...F distances in the range 3.084 (6)-3.302 (5) A at 293 K and 3.070 (3)-3.196 (3) A at 100 K, and also a C-F...N interaction, with a C...N distance of 3.823 (5) A at 293 K and 3.722 (4) A at 100 K. The trifluoromethyl groups in the two remaining molecules are disordered at 293 K, whereas at 100 K the continuous (dynamic) positional disorder of one of the -CF(3) groups (of the molecule forming the chain along [0001]) is totally eliminated while the -CF(3) group disorder remains for the third molecule.