The pressure dependence of the resistivity and structure of La0.60Y0.07Ca0.33MnO3 has been explored in the pressure range from 1 atm to ;7 GPa. The metal to insulator transition temperature (TMI) was found to reach a maximum and the resistivity achieves a minimum at ;3.8 GPa. Beyond this pressure, TMI is reduced with a concomitant increase in the resistivity. Structural measurements at room tem...

The mol-ecular structure of the title compound, C11H13IN4O3, shows a ribo-furanos-yl-pyrrolo O-C-N-C torsion angle of 59.1 (3)°, with the central C-N bond length being 1.446 (3) Å. The C-I bond length is 2.072 (2) Å. The amino group is coplanar with the attached aromatic ring [C-N-C-N torsion angle = -178.8 (2)°] and forms an intra-molecular N-H⋯I hydrogen bond. In the crystal, O-H⋯N and N-H⋯O ...

Vortioxetine, C18H22N2S, (1), systematic name 1-{2-[(2,4-di-methyl-phen-yl)sulfan-yl]phen-yl}piperazine, a new drug used to treat patients with major depressive disorder, has been crystallized as the free base and its methanol monosolvate, C18H22N2S·CH3OH, (2). In both structures, the vortioxetine mol-ecules have similar conformations: in (1), the dihedral angle between the aromatic rings is 80...

A U-shaped conformation is found in the title compound, C(19)H(21)N(3)O(5), with the benzene rings lying to the same side of the mol-ecule; the dihedral angle between them is 10.83 (16)°. The dihedral angle formed between the hydrazinecarbonyl and carbamate residues is 68.42 (13)°. The carbonyl groups lie approximately at right angles to each other [O-C⋯C-O pseudo torsion angle of 107.7 (3)°], ...

The central pyrazole ring in the title compound, C17H16FN3S, adopts an envelope conformation with the methine C atom bearing the 4-fluoro-phenyl substituent as the flap atom. Whereas the tolyl ring is slightly twisted out of the least-squares plane through the pyrazole ring [dihedral angle = 13.51 (11)°], the fluoro-benzene ring is almost perpendicular [dihedral angle = 80.21 (11)°]. The thio-a...

How short can a C-C single bond get? The bonding in a set of molecules that are related structurally to previously synthesized or theoretically examined systems with short C-C bonds is investigated. According to calculations, a single C-C bond could be compressed to 1.313 Å! To the best of our knowledge, this is the shortest single C-C bond reported to date. This shortening is a consequence of ...

In the title compound, C(10)H(8)ClN(3), the dihedral angle between the aromatic rings is 43.0 (1)° and the bridging C-N-C angle is 128.19 (16)°. The amino N atom of one mol-ecule forms a hydrogen bond to the 1-N atom of an adjacent pyrazinyl ring, generating an inversion dimer.

In the title compound, C16H17NO2S, the heterocyclic ring adopts a half-chair conformation and the bond-angle sum at the N atom is 350.2°. The dihedral angle between the planes of the aromatic rings is 47.74 (10)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds to generate [010] chains.

In the title compound, C8H6N2O3S, the dihedral angle between the nitro group and the benzene ring is 6.76 (9)°. The bond-angle sum at the S atom is 308.1°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds to generate (010) sheets. The crystal studied was found to be a racemic twin.

In the title compound, C13H17NO2, the dihedral angle between the planes of the piperidine and benzene rings is 51.7 (2)°. The bond-angle sum around the N atom [359.8 (3)°] indicates sp (2) hybridization of the atom. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules, forming chains along [001].