1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(4-dimethylaminobenzylidene)amino]-1H-pyrazole-3-carbonitrile

Abstract

Key indicatorsSingle-crystal X-ray study T = 298 K Mean (C-C) = 0.005 Å R factor = 0.066 wR factor = 0.186 Data-to-parameter ratio = 13.3For details of how these key indicators were automatically derived from the article, see

5-{[(4-Chlorophenyl)methylene]amino}-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile

“…a 2,6-dichloro-4-(trifluoromethyl)phenyl, a pyrazole and a 4-chlorophenyl ring. Bond lengths and angles (Table 1) are in agreement with those observed in similar compounds Chen et al, 2005). The dihedral angles between the pyrazole and the C1-C6 and C12-C17 benzene rings are 19.02 (16) and 86.98 (8) , respectively.…”

1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-[(4-methoxyphenyl)methyleneimino]-1H-pyrazole-3-carbonitrile

“…Bond lengths and angles (Table 1) are in agreement with those observed in similar compounds Chen et al, 2005). The dihedral angles between the pyrazole and the C13-C18 and C2-C7 benzene rings are 24.9 (2) and 73.5 (2) , respectively.…”

5-[(4-Bromophenyl)methyleneimino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile

“…According to the method of Hatton et al (1993), reaction of 2,6dichloro-4-(trifluoromethyl)aniline with a suspension of nitrosylsulfuric acid, followed by reaction with a solution of ethyl 2,3dicyanopropionate in acetic acid, gave 5-amino-3-cyano-1-[2,6dichloro-4-(trifluoromethyl)phenyl]pyrazole, which was then reacted with 4-bromobenzaldehyde and hydrochloric acid in anhydrous ethanol to give the title compound, (I). This method is similar to that of many others Chen et al, 2005). Colourless single crystals suitable for X-ray analysis were obtained by slow evaporation of an anhydrous ethanolacetone (2:1) solution (m.p.…”