Crystal structure and Hirshfeld surface analysis of 3-(cyclo-propyl-meth-oxy)-4-(di-fluoro-meth-oxy)-N-(pyridin-2-ylmeth-yl)benzamide.

ABSTRACT: The title compound, C18H18F2N2O3, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. They differ essentially in the orientation of the pyridine ring with respect to the benzene ring; these two rings are inclined to each other by 53.3?(2)° in mol-ecule A and by 72.9?(2)° in mol-ecule B. The 3-(cyclo-propyl-meth-oxy) side chain has an extended conformation in both mol-ecules. The two mol-ecules are linked by a pair of C-H?O hydrogen bonds and two C-H?? inter-actions, forming an A-B unit. In the crystal, this unit is linked by N-H?O hydrogen bonds, forming a zigzag -A-B-A-B- chain along [001]. The chains are linked by C-H?N and C-H?F hydrogen bonds to form layers parallel to the ac plane. Finally, the layers are linked by a third C-H?? inter-action, forming a three-dimensional structure. The major contributions to the Hirshfeld surface are those due to H?H contacts (39.7%), followed by F?H/H?F contacts (19.2%).

SUBMITTER: Artheswari G 

PROVIDER: S-EPMC6775738 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature