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Crystal structure, DFT and MEP study of (E)-2-[(2-hydroxy-5-methoxybenzylidene)amino]benzonitrile.
- 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]
- Subjects :
- CRYSTAL structure
DIHEDRAL angles
HYDROGEN bonding
BENZENE
Subjects
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