(3Z)-1,1,1-Trifluoro-4-phenyl-4-[(2-{[(1Z)-4,4,4-trifluoro-3-oxo-1-phenyl-but-1-en-1-yl]amino}-eth-yl)amino]-but-3-en-2-one.

ABSTRACT: In the title compound, C(22)H(18)F(6)N(2)O(2), the five atoms comprising each O=C-C=C-N fragment are almost coplanar (the r.m.s. deviation for the fitted atoms being 0.008 and 0.002?Å) and form a dihedral angle of 47.70?(12)°. The phenyl ring attached to each of the O=C-C=C-N fragments is twisted out of the respective plane with dihedral angles of 64.46?(11) and 61.82?(10)°, respectively. An almost orthogonal relationship for the phenyl rings is indicated by the dihedral angle between them of 78.19?(14)°. The conformation about each ethyl-ene bond is Z, which allows for the formation of intra-molecular N-H?O hydrogen bonds which close S(6) loops. The most prominent feature of the crystal packing are N-H?O hydrogen bonds that result in supra-molecular chains along the a axis. The F atoms of one -CF(3) groups are disordered over three sets of sites with site-occupation factors of 0.318?(4), 0.360?(10) and 0.322?(9).

SUBMITTER: Asiri AM 

PROVIDER: S-EPMC3394068 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature