1-{(E)-[(2E)-3-(4-Meth-oxy-phen-yl)-1-phenyl-prop-2-en-1-yl-idene]amino}-3-phenyl-urea: crystal structure and Hirshfeld surface analysis.

ABSTRACT: The title compound, C₂₃H₂₁N₃O₂, is constructed about an almost planar disubstituted amino-urea residue (r.m.s. deviation = 0.0201?Å), which features an intra-molecular amine-N-H?N(imine) hydrogen bond. In the 'all-trans' chain connecting this to the terminal meth-oxy-benzene residue, the conformation about each of the imine and ethyl-ene double bonds is E. In the crystal, amide-N-H?O(carbon-yl) hydrogen bonds connect centrosymmetrically related mol-ecules into dimeric aggregates, which also incorporate ethyl-ene-C-H?O(amide) inter-actions. The dimers are linked by amine-phenyl-C-H??(imine-phen-yl) and meth-oxy-benzene-C-H??(amine-phen-yl) inter-actions to generate a three-dimensional network. The importance of C-H?? inter-actions in the mol-ecular packing is reflected in the relatively high contributions made by C?H/H?C contacts to the Hirshfeld surface, i.e. 31.6%.

SUBMITTER: Tan MY 

PROVIDER: S-EPMC5683474 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature