The aim of this paper is to investigate whether the methyl group of the adsorbed methoxy intermediate on industrial grade alumina catalysts undergoes rotational tunnelling on the wavenumber energy scale. The data show that this is clearly the case for a fraction of the methyl groups and potentially allows the subtle intermolecular interactions between adsorbed species and catalyst to be probed ...

In the title compound, C(15)H(10)F(2)O(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-fluoro-phenyl ring is rotated out of the benzofuran plane by a dihedral angle of 28.09 (3)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O and C-H⋯F hydrogen bonds.

In the title compound, C(19)H(13)BrO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the naphthofuran unit. The phenyl ring is rotated out of the naphthofuran plane, making a dihedral angle of 42.2 (1)°. The crystal structure is stabilized by two inter-molecular C-H⋯π inter-actions, and by non-classical inter-molecular C-H⋯O and C-H⋯...

In the title compound, C(10)H(13)NO, the N atom and the methyl group are almost coplanar with the benzene ring to which they are bonded [deviations of 0.131 (1) and 0.038 (1) Å, respectively, from the ring plane]. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds form a three-dimensional network. Mol-ecules are stacked parallel to the b-axis direction.

Abstract: Taking into account the unusual crystalline structures of 18-crown-6/peptides/water complexes, the links between their thermokinetic behaviour and the structural peculiarities are discussed. It has been found that the peptide chain lengthening leads to an increase in the temperature and activation energy of decomposition. The thermodynamics of complexation between small peptides and 1...

High-pressure Raman scattering studies at ambient temperature are performed on n-heptane. We observe a liquid-solid transition around 1.5 GPa from the changes in the Raman spectra. This has been reported in earlier works. With increasing pressure, we observe large changes in the Raman modes and the spectra show a distinct change around 7.5 GPa. This marks the solid-solid transition at 7.5 GPa o...

Apart from the methyl group of the meth-oxy fragment, the title compound, C(15)H(12)N(2)O, is almost planar (r.m.s. deviation = 0.045 Å); the C atom deviates from the mean plane by 1.216 (1) Å. In the crystal, π-π stacking [shortest centroid-centroid separation = 3.4652 (10) Å] and C-H⋯π inter-actions occur.

The mean plane of the pyrazolone ring [maximum deviation = 0.054 (1) Å] of the title compound, C(14)H(15)N(3)O(2), is oriented at a dihedral angle of 36.05 (7)° with respect to the phenyl ring. The methyl group is slightly disposed [distance = 0.864 (2) Å] out of the mean plane of the pyrazolone ring to which it is attached.

In the title compound, C(14)H(15)BrO(4)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by C-H⋯π inter-actions between a methyl H atom and the benzene ring of a neighbouring mol-ecule, and by weak inter-molecular C-H⋯O hydrogen bonds.