Benzo[4,5]imidazo[2,1-b]thiazole-2-carbaldehyde

The title compound, C10H6N2OS, is planar, with an r.m.s. deviation of 0.021 Å for the non-H atoms. In the crystal, molecules are linked via a pair of C—H...O hydrogen bonds, forming inversion dimers with an R22(6) ring motif. The molecules stack up the c axis and are linked by offset π–π interactions [shortest inter-centroid distance = 3.647 (2) Å], forming undulating layers parallel to (100)

(7, 8-Dimethyl-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithioate

In the title compound, C17H19NO3S2, the chromene unit makes a dihedral angle of 88.48 (5)° with the best plane through the morpholine ring. The carbodithioate group is present in an antiperiplanar conformation with respect to the morpholine ring, as indicated by the S—C—N—C torsion angle of −171.64 (8)°. The morpholine moiety adopts the usual chair conformation. The crystal structure features C—H...O and C—H...S hydrogen bonds and C—H...π interactions

cis-[3-(2-Chloro-6-methylquinolin-3-yl)oxiran-2-yl](p-tolyl)methanone

In the title compound, C20H16ClNO2, the dihedral angle between the quinolyl ring system and the p-tolyl ring is 65.80 (7)°. The rings are bridged by a functionalized epoxide system, with the exocyclic bonds in a cis configuration. In the crystal, weak C—H...O and C—H...Cl interactions link the molecules into [100] chains

Crystal structure of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-3-(methylsulfanyl)acrylonitrile

In the title compound, C17H14ClNOS, the aromatic rings are inclined to one another by 64.22 (9)°. The acrylonitrile group (C=C—C[triple-bond]N) is planar to within 0.003 (2) Å, with the S atom and the methyl C atom displaced from this plane by 0.2317 (6) and −0.637 (2) Å, respectively. In the crystal, molecules are linked via pairs of C—H...π interactions, forming inversion dimers. There are no other significant intermolecular interactions present

Synthesis, characterizations, biological activities and docking studies of novel dihydroxy derivatives of natural phenolic monoterpenoids containing azomethine linkage

In the present work, we report the synthesis of six new azomethine linkage containing dihydroxy derivatives of carvacrol, thymol, and eugenol. All the synthesized derivatives have been characterized by spectroscopic techniques and their structures were confirmed by X-ray single crystallography. Synthesized derivatives were screened for anti-oxidant activity using DPPH radical scavenging assay, and anticancer activity by using SRB assay against pancreatic cancer with MIAPaCa-2 and colon cancer with HCT-15 cell lines. The molecular docking studies of all the synthesized derivatives were performed on cyclooxygenases (COX-2) protein enzyme. In the anti-oxidant test, the values of EC50 indicated that all the compounds show excellent anti-oxidant potency, and similarly the GI(50) values in anticancer tests indicated that most of the compounds possess good anticancer efficacy. The overall docking score suggested that all the synthesized compounds exhibit good binding affinity towards cyclooxygenases (COX-2) protein enzyme. GRAPHICS]

Novel triethylamine mediated thermal reactions of 3-aryl-2-cyanoprop-2-enoic acid derivatives-demethylation, reduction and vinylogation

3-Aryl-2-propenoic acid derivatives undergo interesting reactions with hot triethylamine. Substrates like 6 having a methoxyl with a nitro in the ortho and cyanoacrylic derivatives in the para positions give O-demethylated products, for example, entacapone 7. On the other hand compounds like 16 having the NO2 in the para and cyanoacrylic in the ortho position undergo reduction and vinylogation. The latter phenomenon is observed in the absence of the NO2 group also. (C) 2015 Elsevier Ltd. All rights reserved

Reaction of 3-arylidenepropenoic acid derivatives with triethylamine and other amines; unexpected reductions and vinylogations

Exposure of ethyl 2-cyano-3-(2-methoxy-5-nitrophenyl)acrylate if to triethylamine in hot ethanol resulted in the formation of the dihydro derivative 2f and vinylogue 3f in high yields. Single crystal X-ray data are provided for 3f. Similar reactions were observed for various analogues. The reaction was studied changing aryl substituent, amines and solvents. Pyridyl, thienyl analogues were also examined. The study was extended to cyclic molecules incorporating such systems like thiazolidinedione 8, 3-cyanocoumarin 9 and 4-arylidene-isoquinoline-2,4-diones 11. The last group gave vinylogated products, 4-cinnamylidene-isoquinolinediones and 4-hydroxylated species. A few examples of arylidene derivatives from malononitrile, ethyl acetoacetate, acetyl acetone and ethyl methylsufonylacetate were investigated. Ethyl cinnamate and beta-nitrostyrene were unaffected. The reaction is considered to be possibly radical mediated, since addition of free radical quencher suppressed the reaction. Contrary to the effects of thermal conditions, irradiation of If in ethanol at 254 and 365 nm gave complex mixtures. A few other interesting observations in this study are noted: vinylogation of If with acetaldehyde to 3f; formation of 3f from if by the treatment with triethylamine, palladium carbon and reduction of if to 2f by triethylammonium formate in DMF. (C) 2016 Elsevier Ltd. All rights reserved

Synthesis, crystal structures, biological screening and electrochemical analysis of some salen-based transition metal complexes

A new series of transition metal complexes with (1) Mn(III), (2) Co(II), (3) Ni(II) and (4) Cu(II) have been synthesized by the reaction of 6,60'-((1E, 1'E)( propane-1,3-diylbis(azanylylidene)) bis(methanylylidene)) bis(5-isopropyl-2-methylphenol)] with suitable metal salts. The synthesized complexes have been characterized by elemental analysis and spectroscopic techniques. The results of single crystal structures show that the metal is bonded to the ligand through the phenolic oxygens and imino nitrogens. Synthesized complexes have been evaluated for antibacterial activity and antioxidant activity, which shows considerable results