Both the acetyl and phenyl substituents of the central pyrazole ring in the title compound, C(24)H(20)N(2)O(3)S, are twisted with respect to the pyrazole ring, with the twist involving the phenyl ring being greater [67.4 (1) and 29.6 (2)°]. The tolyl substituent is disordered over two positions in a 1:1 ratio; the mean planes of the aromatic ring are aligned at 67.7 (3) and 69.4 (3)° with respe...

The complete mol-ecule of the title compound, C(26)H(20)N(2), is generated by crystallographic inversion symmetry. The terminal phenyl ring is twisted by 19.2 (1)° with respect to the adjacent phenyl-ene ring.

In the crystal structure of the title compound, C(18)H(22)N(2)O(2), the pyridine ring makes dihedral angles of 83.71 (6) and 9.2 (1)° with the phenyl ring and the carbamate plane, respectively. The phenyl ring and the carbamate plane are nearly perpendicular to one another, with a dihedral angle of 87.17 (7)°.

The title diketone, C(21)H(22)O(2), features a phenyl-ene ring having benzoyl-methyl and cyclo-hexa-noyl substituents ortho to each other. The cyclo-hexyl ring adopts a chair conformation with the ketonic group occupying an equatorial position; the four-atom -C(O)-C ketonic unit is twisted out of the plane of the phenyl-ene ring by 34.9 (1)°.

In the crystal structure of the title compound, C(18)H(11)FN(4), the pyridopyrazine ring makes dihedral angles of 34.67 (7) and 52.24 (7)° with the 4-fluoro-phenyl and pyridine rings, respectively. The 4-fluoro-phenyl ring makes a dihedral angle of 59.56 (9)° with the pyridine ring.

A series of new tautomeric azonaphthols are synthesized and the possibilities for molecular switching are investigated using molecular spectroscopy, X-ray analysis and density functional theory quantum chemical calculations. Two opposite effects that influence switching are studied: attaching a piperidine sidearm, and adding substituents to the phenyl ring. On the one hand, the attached piperid...

Benzodiazepines are useful drugs for treatment of sleep disorders, anxiety, seizure cases and skeletal muscle cramps. Some derivatives of 2-(2-Phenoxy) phenyl-1, 3, 4-oxadiazole were synthesized as benzodiazepine receptor agonists. Conformational analysis and superimposition of energy minima conformers of the compounds on estazolam, a known benzodiazepine agonist, reveal that the main proposed ...

The seven-membered ring in the title compound, C(18)H(16)N(2)O, adopts a boat conformation with the two phenyl-ene carbons representing the stern and the methyl-ene C atom the prow. The dihedral angle between the best plane through the seven-membered ring and the phenyl ring is 62.13 (3)°.

Derivatives of etomidate were evaluated as inhibitors of adrenal steroid 11beta-hydroxylations. Stereoselective coupling by Mitsunobu produced chirally pure analogues to study the effect of configuration, modification of the ester, and substitution in the phenyl ring, with the aim to probe specific sites for introducing a radionuclide. Iodophenyl metomidate (IMTO) labeled with iodine-131 served...

In the crystal structure of the title compound, C(28)H(29)FN(4)O(2)S, the imidazole ring makes dihedral angles of 11.85 (7), 73.33 (7) and 22.83 (8)° with the 4-fluoro-phenyl, pyridine and phenyl rings, respectively. The 4-fluoro-phenyl ring makes dihedral angles of 77.91 (7) and 26.93 (8)° with the pyridine and phenyl rings, respectively. The phenyl and pyridine rings are nearly perpendicular,...