Crystal structure of (E)-1-(4'-meth-oxy-[1,1'-biphen-yl]-4-yl)-3-(3-nitro-phen-yl)prop-2-en-1-one.

ABSTRACT: The title compound, C22H17NO4, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. Each mol-ecule exists as an E isomer with C-C=C-C torsion angles of -175.69?(17) and -178.41?(17)° in A and B, respectively. In mol-ecule A, the planes of the terminal benzene rings are twisted by an angle of 26.67?(10)°, while the biphenyl unit is non-planar, the dihedral angle between the rings being 30.81?(10)°. The dihedral angle between the nitro-phenyl ring and the inner phenyl ring is 6.50?(9)°. The corresponding values in mol-ecule B are 60.61?(9), 31.07?(8) and 31.05?(9)°. In the crystal, mol-ecules are arranged in a head-to-head manner, with the 3-nitro-phenyl groups nearly parallel to one another. The A and B mol-ecules are linked to one another via C-H?O hydrogen bonds, forming chains lying parallel to (-320) and enclosing R 2 (2)(10) and R 2 (2)(12) ring motifs. The meth-oxy group in both mol-ecules is positionally disordered with a refined occupancy ratio of 0.979?(4):0.021?(4) for mol-ecule A and 0.55?(4):0.45?(4) for mol-ecule B.

SUBMITTER: Vidhyasagar T 

PROVIDER: S-EPMC4331905 | biostudies-other | 2015 Jan

REPOSITORIES: biostudies-other