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

Acta Crystallographica. Section E, Crystallographic Communications
Md Serajul Haque FaiziIgor O Fritsky

Abstract

The asymmetric unit of the title compound, C15H12N2O2, 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) Å complete the three-dimensional network.

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Sep 24, 2015·Acta Crystallographica. Section E, Crystallographic Communications·Md Serajul Haque Faizi, Elena V Prisyazhnaya
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Oct 18, 2016·Acta Crystallographica. Section E, Crystallographic Communications·Md Serajul Haque FaiziVadim A Potaskalov

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Citations

Aug 28, 2020·Acta Crystallographica. Section E, Crystallographic Communications·Md Serajul Haque FaiziAshraf Mashrai
Aug 28, 2020·Acta Crystallographica. Section E, Crystallographic Communications·Md Serajul Haque FaiziAshraf Mashrai
Oct 30, 2020·Acta Crystallographica. Section E, Crystallographic Communications·Emine Berrin CinarAshraf Mashrai

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Methods Mentioned

BETA
X-ray

Software Mentioned

GAUSSIAN09

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