In the title compound, C(31)H(27)N(3)O(2), the two piperidine rings fused to each other each adopt a slightly distorted chair conformation. The phenyl rings on the N-unsubstituted piperidine ring occupy an equatorial position, while those on the N-nitroso-substituted piperidine ring are in axial positions. The NO group is approximately coplanar with the piperidine ring with a maximum deviation ...

In the title compound, C29H20N2, the dihedral angles subtended by the central p-phenyl-enedi-amine ring with respect to the mean plane of the terminal pyrenyl ring system (r.m.s. deviation = 0.027 Å) and the terminal N-phenyl ring are 29.34 (4) and 43.43 (7)°, respectively. The conformation about the C=N bond is E. In the crystal, mol-ecules are linked by N-H⋯π and C-H⋯π inter-actions forming c...

With respect to the planar five-membered ring of the title compound, C(16)H(15)N(3)O(2)S, the phenyl ring is aligned at 47.0 (1)° and the phenyl-ene ring at 37.6 (1)°. The amino group has the N atom in a pyramidal geometry; the group is a hydrogen-bond donor to the sulfonyl O atom of one mol-ecule and to the pyrazole N atom of another mol-ecule, resulting in the formation of a layer parallel to...

In the title mol-ecule, C(17)H(13)FN(2)O(2), the 3,4-dihydro-pyrimidine ring adopts a flattened sofa conformation with the flap atom (which bears the fluoro-phenyl substituent) deviating from the plane defined by the remaining five ring atoms by 0.281 (2) Å. This plane forms dihedral angles of 85.98 (6) and 60.63 (6)° with the 4-fluoro-phenyl and benzoyl-phenyl rings, respectively. The dihedral...

The two title compounds, 2-([(1Z)-[4-(dimethylamino)phenyl]methylene]amino)-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide, C(23)H(25)N(3)OS, (I), and 2-([(1E)-[4-(dimethylamino)phenyl]methylene]amino)-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide,C(25)H(27)N(3)OS, (II), show antibacterial and antifungal activities. The asymmetric unit of (II) contains two crystal...

In the title compound, C(14)H(15)N(3)O(2), the phenyl-ene ring is disordered over two orientations. As a result, the almost planar pyrazole ring (r.m.s. deviation = 0.004 Å) forms dihedral angles of 59.8 (1) and -61.9 (1)° with the two orientations of the phenyl-ene ring. The dihedral angle between the two orientations is 59.2 (1)°. In the crystal, inversion dimers lined by pairs of N-H⋯O hydro...

In the title mol-ecule, C(23)H(20)N(2), the heterocyclic ring adopts a screw-boat conformation, with all substituents equatorial. The phenyl ring at position 3 makes dihedral angles of 78.12 (15) and 72.67 (15)°, respectively, with the phenyl rings at positions 5 and 6; the dihedral angle between the phenyl rings at positions 5 and 6 is 67.32 (14)°. A C-H⋯π inter-action is present in the crysta...

In the title compound, C(23)H(22)N(2)O(2), the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046 Å) and it makes a dihedral angle of 18.5 (2)° with the phenyl ring. The dihedral angles between the phenyl and the two meth-oxy-substituted phenyl rings are 26.2 (2) and 80.6 (2)°. The crystal structure is stabilized by C-H⋯π stacking inter-actions and weak π-π inter-actions [centriod...

Two novel sandwich-type mixed (phthalocyaninato)(porphyrinato) rare earth double-decker complexes with decreased molecular symmetry of Cs M(Pc)[D(NHC(8)H(17))(2)PP] [M = Eu, Lu; Pc = unsubstituted phthalocyaninate; D(NHC(8)H(17))(2)PP = 5,10-di(phenyl)-15,20-di(4-octylamino-phenyl)porphyrinate] (1, 2) have been designed, prepared, and characterized. The single crystal and molecular structure of...

Density functional theory calculations with the B3LYP functional were performed for the title ring-opening reaction to understand the intrinsic activating and directing effects of the N-substituents, as well as the electron donating effect of the para-substituted (Y = Cl, H, Me) phenyl group at the more hindered benzylic C2 atom. The N-tosyl group (i.e., N-Tos) or the N-(2-pyridyl)sulfonyl grou...