In the title sydnone compound, C(20)H(18)ClN(7)O(4)S, the oxadiazole, triazole, chloro-substituted and meth-oxy-substituted phenyl rings are essentially planar, with maximum deviations of 0.007 (3), 0.009 (2), 0.017 (2) and 0.002 (3) Å, respectively. The dihedral angles between the chloro-substituted phenyl ring and the triazole ring, the triazole ring and the oxadiazole ring, and the oxadiazol...

Replacement of phenyl ring(s) in tetraphenylethene by naphthalene ring(s) generates a series of new luminogens with aggregation-induced emission (AIE) characteristics, demonstrating that bulky naphthalene rings can serve as a rotor to construct AIE luminogens.

In the title compound, C(23)H(24)N(4)OS, the piperidine and cyclo-hexane rings adopt twin chair conformations and the phenyl groups occupy equatorial positions. The dihedral angle between the two benzene rings is 10.25 (12)°. The crystal structure is stabilized by intermolecular N-H⋯O hydrogen bonds with the formation of centrosymmetric dimers.

Quantum chemical (MNDo)caleulations have beenused toelucidate the molecular properties and structure - activity relationships of dihydropyridine (DHP) type calcium antagonists. There is a good corielation between the net atomic charges on various atoms of the 4 - phenyl ring of dihydropyridines and pharmacological activity. .Also, activity decreases with increasing free rotation of the phen...

In the title compound, C(26)H(32)N(2), the cyclo-hexane and piperazine rings each adopt a chair conformation. Both phenyl rings and the two propen-3-yl residues are in equatorial positions. There are no C-H⋯N hydrogen bonds nor π-π inter-actions between the aromatic rings. The absolute configuration was assigned with reference to the starting material.

In the title compound, C(21)H(24)N(2)O(4), the piperidine ring adopts a distorted boat conformation. The crystal structure is stabilized by C-H⋯π inter-actions involving one of the methoxy-phenyl rings.

In the title compound, C33H24F2N2O2, the cyclo-hexane ring adopts a slightly distorted chair conformation. The dihedral angle between the planes of the phenyl rings is 71.80 (9)°, while the planes of the fluoro-phenyl and fluoro-benzoyl rings are inclined to one another by 31.04 (10)°. The dihedral angles between the planes of the phenyl ring adjacent to the 4-hydroxy group and those of the the...

The title zinc bis(thiosemicarbazone) complex, [Zn(C 22 H 17 N 4 O 2 S) ], comprises two , S -donor anions, leading to a distorted tetrahedral donor set. resultant five-membered chelate rings are nearly planar and form dihedral angle of 73.28 (3)°. configurations about the endocyclic- exocyclic-imine bonds Z E respectively, that ethylene bond is . major differences in conformations ligands seen...

In the title compound, C(26)H(20)BN(3)O, the B atom has tetra-hedral geometry and is linked to two phenyl rings, the O atom of the hy-droxy-pyrazole ring and the N atom of the pyridinyl ring. A six-membered BOCNCN ring forms by coordination of the B atom and the pyridinyl N atom. The BOCNCN ring has an envelope conformation [dihedral angle = 36.7 (1)° between the planar ring atoms and the flap]...

In the title compound, C(14)H(10)FN(3), the imidazole ring makes dihedral angles of 28.2 (1) and 36.60 (9)° with the pyridine ring and the 4-fluoro-phenyl ring, respectively. The pyridine ring forms a dihedral angle of 44.68 (9)° with the 4-fluoro-phenyl ring. Inter-molecular N-H⋯N hydrogen bonds are observed in the crystal structure.