(E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-phenyl­prop-2-en-1-one

The asymmetric unit of the title compound, C19H17N3O, contains two independent mol­ecules. In one mol­ecule, the essentially planar triazole ring [maximum deviation = 0.003 (2) Å] forms dihedral angles of 5.57 (12) and 87.51 (12)° with the two phenyl rings, while in the other mol­ecule [maximum deviation in triazole ring = 0.001 (2) Å] these angles are 1.55 (10) and 82.73 (11)°. The dihedral angles between the two phenyl rings in the two mol­ecules are 87.77 (13) and 81.22 (11)°. In the crystal, the independent mol­ecules are connected via a weak C—H⋯N hydrogen bond, forming dimers. Further stabilization is provided by weak C—H⋯π inter­actions

Experimental and theoretical investigations on the host-guest interaction of diphenylamine with p-sulfonatocalix[4]arene

929-938The intermolecular interaction between diphenylamine (DPA) and p-sulfonatocalix[4]arene (p-SC4) is studied by experimental and computational techniques. The 1:1 stoichiometry of the inclusion complex is deduced from fluorescence titration using Job’s method. The tendency of binding of DPA with p-SC4 is analyzed from emission, excited state lifetime and cyclic voltammetry techniques. The binding constant values acquired from all the titrations are around 103–104 L/mol, reveals the effective binding. The structural interactions and mode of binding of the supramolecular complex are explained by 1H NMR and ROESY spectral studies. The molecular association of DPA with p-SC4 is confirmed by quantum chemical simulations. The higher complexation energy (-76.94 kJ/mol) declares the existence of strong binding between DPA and p-SC4

4-Benzyl-8-phenyl-1-thia-4-aza­spiro­[4.5]decan-3-one

In the title compound, C21H23NOS, the thia­zolidine ring adopts a twist conformation about one of its C—S bonds, while the cyclo­hexane ring has a chair conformation. The S and N atoms attached to the spiro C atom are in axial and equatorial orientations, respectively. The thia­zolidine ring forms dihedral angles of 86.24 (14) and 31.82 (15)° with the directly attached and remote terminal benzene rings, respectively. The dihedral angle between the two terminal benzene rings is 86.74 (14)°. In the crystal, the only significant directional inter­action is a weak C—H⋯π bond, which generates [010] chains

3-Benzyl-2-(furan-2-yl)-1,3-thia­zolidin-4-one

In the title compound, C14H13NO2S, the thia­zolidine ring is approximately planar with a maximum deviation of 0.112 (1) Å. The furan ring is disordered over two orientations, with an occupancy ratio of 0.901 (5):0.099 (5). The central thia­zolidine ring makes dihedral angles of 85.43 (8), 87.50 (11) and 87.9 (9)° with the phenyl ring and the major and minor components of the disordered furan ring, respectively. In the crystal, mol­ecules are connected by weak inter­molecular C—H⋯O hydrogen bonds, forming supra­molecular chains parallel to the b axis

A facile, rapid, one-pot regio/stereoselective synthesis of 2-iminothiazolidin-4-ones under solvent/scavenger-free conditions

A rapid and efficient one pot solvent/scavenger-free protocol for the synthesis of 2-iminothiazolidin-4-ones has been developed. Interestingly, the regio/stereoselective synthesis affords the regioisomeric (Z)-3-alkyl/aryl-2-(2-phenylcyclohex-2-enylimino)thiazolidin-4-one as the sole product in good yield. The selectivities observed have been rationalized based on the relative magnitude of the allylic strains developed during the course of the reaction. This is the first report wherein the impact of allylic strains in directing the regiocyclization has been noted

3-Benzyl-2-phenyl-1,3-thiazolidin-4-one

In the title compound, C16H15NOS, the thiazolidine ring, which is essentially planar [maximum deviation = 0.071 (2) Å], makes dihedral angles of 88.01 (8) and 87.21 (8)° with the terminal phenyl rings. The dihedral angle between the phenyl rings is 49.45 (5)°. In the crystal, molecules are linked by a weak intermolecular C—H...O hydrogen bond, forming a supramolecular chain along the b axis. Furthermore, the crystal packing is stabilized by a weak C—H...π interaction

Synthesis of <i>N</i>-Acyl Triazolyl-Pyrazolines <i>via</i>. Acylation Initiated by the Hydrazone Moiety with Carboxylic Acids

<div><p></p><p>An efficient synthesis of <i>N</i>-acyl/<i>N</i>-substituted acyl pyrazolines and their triazole hybrids have been accomplished <i>via</i> acylation of pyrazolines and pyrazoline-triazole hybrids with carboxylic acids and/or substituted carboxylic acids in the absence of activating agents/catalysts. In the present study, a mechanism envisaging the <i>insitu</i> generation of a new transient acylating intermediate has been proposed to explain the acylation.</p></div