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

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作者:Artheswari G, Maheshwaran V, Gautham N
The title compound, C(18)H(18)F(2)N(2)O(3), 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⋯π 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⋯π 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%).

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