N-(2-Fluorobenzyloxy)-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine

In the title compound, C27H29FN2O, the piperidine ring has a twisted boat conformation and all ring substituents occupy equatorial positions. The dihedral angle formed between the phenyl rings is 66.71 (12)°, and the phenyl rings form dihedral angles of 46.60 (13) and 43.75 (13)° with the fluorobenzene ring, which occupies a position coplanar to the methoxy(methylidene)amine residue [N—O—C—C torsion angle = −179.5 (2)°]. In the crystal, a complex network of C—H...π interactions connects the molecules into a three-dimensional architecture

(4E)-N-[(2-Bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine

In the title compound, C26H27BrN2O, the piperidine ring has a chair conformation and all ring substituents occupy equatorial positions, apart from the double-bonded N atom, which occupies a bisectional position. The dihedral angle formed between the phenyl rings is 61.18 (19)°, and the phenyl rings form dihedral angles of 49.78 (19) and 69.2 (18)° with the bromobenzene ring. The latter is coplanar with the methoxy(methylidene)amine fragment [N—O—C—C torsion angle = −171.7 (2)°]. Linear supramolecular chains, approximately along [112], sustained by C—H...π interactions, feature in the crystal packing

Functionalized zinc(II) dithiocarbamate complexes: Synthesis, spectral and molecular structures of bis(N-cyclopropyl-N-4-methoxybenzyldithiocarbamato-S,S′)zinc(II) and (2,2′-bipyridine)bis(N-cyclopropyl-N-4-methoxybenzyldithiocarbamato-S,S′)zinc(II)

Two new zinc and dithiocarbamate integrated metal complexes such as bis(N-cyclopropyl-N-4-methoxybenzyldithiocarbamato-S,S′)zinc(II) (1) and (2,2′-bipyridine)bis(N-cyclopropyl-N-4-methoxybenzyldithiocarbamato-S,S′)zinc(II) (2) have been synthesized and their spectral investigations viz., FT-IR, 1H and 13C NMR as well as single crystal X-ray diffraction studies have been accomplished. Single crystal X-ray analysis of the complex 1 reveals the presence of distorted trigonal bipyramidal and tetrahedral coordination geometry around the zinc. The dithiocarbamate motif acts as bidentate chelating and bidentate bridging ligands between the zinc ions furnishing centrosymmetric dimeric molecules. In the complex 2, the zinc is in a distorted octahedral environment with a ZnS4N2 chromophore. The supramolecular frameworks in the complexes 1 and 2 have been sustained by CH⋯S, CH⋯O and CH⋯π (ZnCS2, and chelate) interactions. Computational studies on complexes 1 and 2 have been executed utilizing DFT-B3LYP/ LANL2DZ method. In both the cases, the HOMO-LUMO calculations imply the occurrence of effective charge transfer within the molecule. Further, the MEP analysis of 1 and 2 implies the negative potential sites are sulfur of NCS2 and oxygen of OCH3 and the positive potential sites are nitrogen of NCS2 in both the complexes along with 2,2′-bipyridine for complex 2. The former sites are susceptible for electrophilic reactions while the latter for nucleophilic reactions. Keywords: Zinc complexes, Dithiocarbamate, X-ray diffraction, Computational study, HOMO-LUM

1-(2-Chlorobenzyl)-3,5-dimethyl-2,6-diphenylpiperidine

Two independent molecules (A and B) comprise the asymmetric unit of the title compound, C26H28ClN, with the inverted form of B almost superimposable upon A. Each piperidine ring has a chair conformation and the chloro substituent is anti to the piperidine N atom. Each of two aromatic rings, the benzyl residue and one methyl group substituents occupies an equatorial position, and the second methyl substituent occupies an axial position. The dihedral angle formed between the chlorobenzene ring and the flanking phenyl rings in molecule A are 84.24 (9) and 24.85 (8)°; the equivalent angles for molecule B are 79.97 (9) and 28.33 (9)°. In the crystal, the A and B molecules are connected by C—H...Cl and C—H...π interactions, forming a supramolecular chain along [101]