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Crystal structure, DFT and MEP study of (E)-2-[(2-hy­droxy-5-meth­oxy­benzyl­idene)amino]­benzo­nitrile.

Authors :
Haque Faizi, Md. Serajul
Dege, Necmi
Çiçek, Ceren
Agar, Erbil
Fritsky, Igor O.
Source :
Acta Crystallographica Section E: Crystallographic Communications; Jul2019, Vol. 75 Issue 7, p987-990, 11p
Publication Year :
2019

Abstract

The asymmetric unit of the title compound, C<subscript>15</subscript>H<subscript>12</subscript>N<subscript>2</subscript>O<subscript>2</subscript>, contains two crystallographically independent mol­ecules in which the dihedral angles between the benzene rings in each are 13.26 (5) and 7.87 (5)°. An intra­molecular O—H···N hydrogen bonds results in the formation of an S(6) ring motif. In the crystal, mol­ecules are linked by weak C—H···O and C—H···N hydrogen bonds, forming layers parallel to (011). In addition, π–π stacking inter­actions with centroid–centroid distances in the range 3.693 (2)–3.931 (2) Å complete the three-dimensional network. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20569890
Volume :
75
Issue :
7
Database :
Complementary Index
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
137733975
Full Text :
https://doi.org/10.1107/S2056989019008077