Abstract
The title compound, C15H16O, crystallizes with two independent molecules in the asymmetric unit. Due to the space-group symmetry, this results in the formation of a tetramer where the four molecules are connected by O—H⋯O hydrogen bonds. The molecules pack parallel to the c axis. Both molecules in the asymmetric unit are nonplanar and the dihedral angles between connected aromatic rings in each molecule are 7.96 (12) and 9.75 (13)°. This contrasts with the gas phase density functional theory (DFT) optimized conformation, where this dihedral angle is 39.33°.
Highlights
The title compound, C15H16O, crystallizes with two independent molecules in the asymmetric unit
Due to the space-group symmetry, this results in the formation of a tetramer where the four molecules are connected by O—H O hydrogen bonds
This contrasts with the gas phase density functional theory (DFT) optimized conformation, where this dihedral angle is 39.33
Summary
R factor = 0.046; wR factor = 0.147; data-to-parameter ratio = 11.7. The title compound, C15H16O, crystallizes with two independent molecules in the asymmetric unit. Due to the space-group symmetry, this results in the formation of a tetramer where the four molecules are connected by O—H O hydrogen bonds. The molecules pack parallel to the c axis. Both molecules in the asymmetric unit are nonplanar and the dihedral angles between connected aromatic rings in each molecule are. This contrasts with the gas phase density functional theory (DFT) optimized conformation, where this dihedral angle is 39.33.
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