Abstract
With the exception of the terminal benzene rings, the atoms in the title compound, C20H18ClN3O2, are approximately coplanar (r.m.s. deviation = 0.0495 Å). The benzene/chlorobenzene rings form dihedral angles of 3.02 (4) and 41.59 (5)°, respectively, with this plane. The hydroxy, amino and carbonyl groups all lie to the same side of the molecule, enabling the formation of intramolecular O—H⋯O and N—H⋯O hydrogen bonds that close S(6) rings. The configuration about the 2-butene bond is Z. Supramolecular chains mediated by C—H⋯Cl interactions and aligned along the c axis are found in the crystal packing. These assemble into layers that are connected by weak π–π interactions between centrosymmetrically related chlorobenzene rings [3.8156 (9) Å].
Highlights
With the exception of the terminal benzene rings, the atoms in the title compound, C20H18ClN3O2, are approximately coplanar (r.m.s. deviation = 0.0495 Å)
C—H Cl interactions and aligned along the c axis are found in the crystal packing
These assemble into layers that are connected by weak – interactions between centrosymmetrically related chlorobenzene rings [3.8156 (9) Å]
Summary
H atoms treated by a mixture of independent and constrained refinement max = 0.27 e Å3. With the exception of the terminal benzene rings, the atoms in the title compound, C20H18ClN3O2, are approximately coplanar (r.m.s. deviation = 0.0495 Å). The benzene/chlorobenzene rings form dihedral angles of 3.02 (4) and 41.59 (5) , respectively, with this plane. The hydroxy, amino and carbonyl groups all lie to the same side of the molecule, enabling the formation of intramolecular O—H O and N—H O hydrogen bonds that close S(6) rings. C—H Cl interactions and aligned along the c axis are found in the crystal packing. These assemble into layers that are connected by weak – interactions between centrosymmetrically related chlorobenzene rings [3.8156 (9) Å]
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