Crystal structure, DFT and MEP study of (E)-2-[(2-hy-droxy-5-meth-oxy-benzyl-idene)amino]-benzo-nitrile.

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作者:Faizi Md Serajul Haque, Dege Necmi, Çiçek Ceren, Agar Erbil, Fritsky Igor O
The asymmetric unit of the title compound, C(15)H(12)N(2)O(2), contains two crystallographically independent mol-ecules in which the dihedral angles between the benzene rings in each are 13.26†(5) and 7.87†(5)°. An intra-molecular O-H⋯N hydrogen bonds results in the formation of an S(6) ring motif. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯N hydrogen bonds, forming layers parallel to (011). In addition, π-π stacking inter-actions with centroid-centroid distances in the range 3.693†(2)-3.931†(2)†à complete the three-dimensional network.

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