In the title compound, C(16)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 benzofuran fragment. The 4-bromo-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 39.23 (8)°. The crystal structure exhibits weak non-classical inter-molecular C-H⋯O hydrogen bonds and two inter-molecular C-H⋯π inter...

The asymmetric unit of the title compound, C(9)H(12)O(4), consists of two crystallographically independent mol-ecules with similar conformations: essentially planar [r.m.s deviations for C(6)O(4) = 0.0057 and 0.0137 Å] except for the central meth-oxy-methyl group [C-C-O-C torsion angles = 83.3 (2) and 83.9 (2)°]. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules, generating supra-molecul...

In the title compound, C(10)H(6)F(3)N(3), the imidazo[1,2-a]pyridine group is essentially planar with a maximum deviation of 0.021 (1) Å. The F atoms in the trifluoro-methyl group and the methyl H atoms are each disordered over two sets of sites with refined site occupancies of 0.68 (1):0.32 (1). In the crystal, mol-ecules are linked into infinite chains through two C-H⋯N inter-actions forming ...

The molecule of the title compound, C(12)H(8)ClF(3)N(4)O, is twisted as indicated by the C-O-C-C torsion angle of 76.9 (3)°. Moreover, the trifluoro-methyl group shows rotational disorder of the F atoms, with site-occupancy factors of 0.653 (6) and 0.347 (6). The dihedral angle between the rings is 1.88 (12) Å.

In the title compound, C(18)H(16)O(4)S, the 4-hydroxy-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 34.52 (6)°. The methyl group of the methyl-sulfanyl substituent is almost perpendicular to the plane of the benzofuran fragment [100.90 (8)°] and is slightly tilted towards it. The crystal structure is stabilized by inter-molecular O-H⋯O hydrogen bonds, and by int...

The title steroid, C(29)H(46)O(4), is a furostene derivative with a C=C double-bond length of 1.353 (3) Å and an E configuration. The side chain is oriented toward the α face of the A-E steroidal nucleus and presents a disordered terminal CH(2)-OH group [occupancies for resolved sites are 0.591 (9) and 0.409 (9)]. The methyl group at C20 attached to ring E is also oriented toward the α face, av...

In the crystal structure of the title compound, C(4)H(6)N(3) (+)·C(7)H(7)O(3)S(-), inter-molecular N-H⋯O hydrogen bonds link the cations and anions into chains along [100]. Additional stabilization is provided by weak C-H⋯O hydrogen bonds. An inter-molecular π-π stacking inter-action with a centroid-centroid distance of 3.6957 (7) Å is also observed. The H atoms of the methyl group were refined...

In the title compound, C(14)H(11)Cl(2)N, the dihedral angle between the 4-methyl-anilinic and 2,4-dichloro-benzaldehyde moieties is 7.37 (8)°. In the crystal, C-H⋯π inter-actions between the terminal methyl group and a symmetry-related ring of the anilinic group help to establish the packing.

Reaction of 1-methylpyrazole with n-BuLi in THF followed by reaction with monodeuteromethanol (CH3OD) under kinetically controlled conditions leads to functionalisation at the methyl group, whereas reaction under thermodynamically controlled conditions leads to functionalisation at the pyrazole 5-position. The observed regioselectivity can be correctly predicted, at least qualitatively, using d...

High-resolution photoelectron spectra of the i-methylvinoxide anion are obtained by slow electron velocity-map imaging. The transitions between the anion ground electronic state, X̃ (1)A', and the radical X̃ (2)A'', and à (2)A' states are measured. Franck-Condon simulations of the X̃ (2)A'' ← X̃ (1)A' transition are performed to aid in assigning peaks, yielding several vibrational frequencies for t...