6,6′-Dimethoxy-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenol

Chin Sing Yeap,Hadi Kargar,Reza Kia,Hoong-Kun Fun

doi:10.1107/s1600536808038002

Chin Sing Yeap, Hadi Kargar + Show 2 more

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https://doi.org/10.1107/s1600536808038002

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Abstract

The title Schiff base compound, C21H26N2O4, exhibits two crystallographically independent molecules in the asymmetric unit with similar conformations. The imino groups are coplanar with the benzene rings; the maximum deviations of the N atoms from the planes comprising the benzene rings and the imino groups are −0.037 (4), 0.013 (4), −0.021 (5), and 0.008 (5) Å. The dihedral angles between the benzene rings in the two molecules are 53.64 (17) and 51.93 (17)°. Strong intramolecular O—H⋯N hydrogen bonds generate S(6) ring motifs. The N atoms are also in close proximity to the H atoms of the dimethylpropane groups, with H⋯N distances between 2.54 and 2.75 Å. The crystal structure is further stabilized by weak intermolecular C—H⋯O hydrogen bonds, weak intermolecular C—H⋯π interactions and π–π contacts involving the imine C atom and two C atoms from the adjacent benzene rings.

Highlights

The title Schiff base compound, C21H26N2O4, exhibits two crystallographically independent molecules in the asymmetric unit with similar conformations
The imino groups are coplanar with the benzene rings; the maximum deviations of the N atoms from the planes comprising the benzene rings and the imino groups are 0.037 (4), 0.013 (4), 0.021 (5), and
The dihedral angles between the benzene rings in the two molecules are 53.64 (17) and 51.93 (17)

Summary

Structure Reports

R factor = 0.070; wR factor = 0.202; data-to-parameter ratio = 14.2. The title Schiff base compound, C21H26N2O4, exhibits two crystallographically independent molecules in the asymmetric unit with similar conformations. The imino groups are coplanar with the benzene rings; the maximum deviations of the N atoms from the planes comprising the benzene rings and the imino groups are 0.037 (4), 0.013 (4), 0.021 (5), and. The dihedral angles between the benzene rings in the two molecules are 53.64 (17) and 51.93 (17). Strong intramolecular O—H N hydrogen bonds generate S(6) ring motifs. The N atoms are in close proximity to the H atoms of the dimethylpropane groups, with H N distances between. The crystal structure is further stabilized by weak intermolecular C—H O hydrogen bonds, weak intermolecular C—H interactions and – contacts involving the imine C atom and two C atoms from the adjacent benzene rings

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