N-{1-[(3-Bromopropyl)aminocarbonyl]ethyl}-2-(2-nitrobenzenesulfonamido)propionamide

In the title compound, C15H21BrN4O6S, all three NH groups are involved in intermolecular N-H center dot center dot center dot O interactions which, together with two intermolecular C-H center dot center dot center dot O contacts, lead to a continuous antiparallel beta-sheet structure. There are no pi-pi interactions between molecules, and two C-H center dot center dot center dot pi interactions primarily govern the linkage between sheets.

4-Chloro-N-(3-chlorophenyl)benzamide

The title compound, C13H9Cl2N, has an intramolecular C-H center dot center dot center dot O close contact, and presents the NH group syn to the meta-chloro group in the aniline ring and trans to the C=O group. The crystal packing is formed by infinite chains of N-H center dot center dot center dot O hydrogen bonds along the c axis. Cl center dot center dot center dot Cl [3.474 (1) angstrom] contacts link chains. The crystal used for data collection was a twin, the domains related by the twin law 0.948 (1)/0.052 (1).

Ethyl 3-oxo-2-[(4-sulfamoylphenyl)hydrazono]butyrate

In the title compound, C12H15N3O5S, an intramolecular N-H center dot center dot center dot O hydrogen bond between the hydrazine unit and one of the carbonyl groups may influence the molecular conformation. In the crystal structure, intermolecular N-H center dot center dot center dot O hydrogen bonds, including one which is bifurcated, link the molecules into a two-dimensional network.

Ethyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carbox ylate monohydrate

In the title compound, C14H16N2O4 center dot H2O, the dihedral angles between the planes of the 4-hydroxyphenyl and ester groups with the plane of the six-membered tetrahydropyrimidine ring are 87.3 (1) and 75.9 (1)degrees, respectively. The crystal structure is stabilized by O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonding between the water molecule and the organic functionalities.

Ethyl 4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

In the title compound, C14H15ClN2O2S, the tetrahydropyrimidine ring adopts a twisted boat conformation with the carbonyl group in an s-trans conformation with respect to the C C double bond of the six-membered tetrahydropyrimidine ring. The molecular conformation is determined by an intramolecular C-H center dot center dot center dot pi interaction. The crystal structure is further stabilized by intermolecular N-H center dot center dot center dot O molecular chains and centrosymmetric N-H center dot center dot center dot S dimers.

Oxidation of bis-(2-hydroxy-1-naphthyl)methane with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone. X-Ray crystal structure of a novel product

A novel compound obtained by the oxidation of the title compound with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone has been assigned structure (5) on the basis of spectral data and X-ray crystal structure analysis.

A green protocol for room temperature synthesis of silver nanoparticles in seconds

We describe here a rapid, energy-efficient, green and economically scalable room temperature protocol for the synthesis of silver nanoparticles. Tannic acid, a polyphenolic compound derived from plant extracts is used as the reducing agent. Silver nanoparticles of mean size ranging from 3.3 to 22.1 nm were synthesized at room temperature by the addition of silver nitrate to tannic acid solution maintained at an alkaline pH. The mean size was tuned by varying the molar ratio of tannic acid to silver nitrate. We also present proof of concept results demonstrating its suitability for room temperature continuous flow processing.

Synthesis, structural and ferromagnetic properties of La1-xKxMnO3 (0.0 <= x <= 0.25) phases by solution combustion method

We describe the solution combustion synthesis and characterization of La1-xKxMnO3 (0.0 <= x <= 0.25) perovskite phases, which is a low temperature initiated, rapid route to prepare metal oxides. As-synthesized compounds are amorphous in nature; crystallinity was observed on heating at 800 degrees C for 5 min. Structural parameters were determined by the Rietveld refinement method using powder XRD data. Parent LaMnO3 compound crystallizes in the orthorhombic structure (space group Pbnm, No. 62). Potassium substituted compounds were crystallized with rhombohedral symmetry (space group R-3c, No. 167). The ratio of the Mn3+/Mn4+ was determined by the iodometric titration. The Fourier transform infrared spectrum (FTIR) shows two absorption bands for Mn-O stretching vibration (v, mode), Mn-O-Mn deformation vibration (v(b) mode) around 600 cm(-1) and 400 cm(-1) for the compositions, x = 0.0, 0.05 and 0-10. Four-probe electrical resistivity measurements reveal a composition controlled metal to insulator transition (TM-1), the maximum TM-1 was observed for the composition La0.85K0.15MnO3 at 287 K. Room temperature vibrating sample magnetometer data indicate that for the composition up to x = 0-10, the compounds are paramagnetic whereas composition with x = 0.15, 0.20 and 0.25 show magnetic moments of 27, 29 and 30 emu/g, respectively.

Synthesis and Cytotoxic Evaluation of Novel 2-(4-(2,2,2-Trifluoroethoxy)-3-methylpyridin-2-ylthio)-1H-benzo[d]imid azole Derivatives

The present work deals with the anticancer effect of benzimidazole derivatives associated with the pyridine framework. By varying the functional group at N-terminal of the benzimidazole by different L-amino acids, several 2-(4-(2,2,2-trifluoroethoxy)-3-methylpyridin-2-ylthio)-1H-benzo[d]imid azole derivatives 9(a-j) were synthesized. Their chemical structures were confirmed by H-1 NMR, IR and mass spectroscopic techniques. The synthesized compounds were examined for their antiproliferative effects against human leukemia cell lines, K562 and CEM. The preliminary results showed most of the derivatives had moderate antitumor activity. Compound 9j containing cysteine residue exhibited good inhibition compared to other amino acid resides. In addition DNA fragmentation results suggest that 9j is more cytotoxic and able to induce apoptosis.

Design, Development, Synthesis, and Docking Analysis of 2-substituted Triclosan Analogs as Inhibitors for Plasmodium falciparum Enoyl-ACP Reductase

A structure-based approach has been adopted to develop 2'substituted analogs of triclosan. The Cl at position 2' in ring B of triclosan was chemically substituted with other functional groups like NH2, NO2 and their inhibitory potencies against PfENR were determined. The binding energies of the 2' substituted analogs of triclosan for enoyl-acyl carrier protein reductase (ENR) of Plasmodium falciparum were determined using Autodock. Based on the autodock results, we synthesized the potential compounds. The IC50 and inhibition constant (K-i) of 2' substituted analogs of triclosan were determined against purified PfENR. Among them, two compounds,2-(2'-Amino-4'-chloro-phenoxy)-5-chloro-phenol (compound 4) and 5-chloro-2-(4'-chloro-2'-nitro-phenoxy)-phenol) (compound 5) exhibited good potencies. Compound 4 followed uncompetitive inhibition kinetics with crotonoyl CoA and competitive with NADH. It was shown to have an IC50 of 110 nM; inhibition constant was 104 nM with the substrate and 61 nM with the cofactor. IC50 Of compound 5 was determined to be 229 nM. Compounds 4 and 5 showed significant inhibition of the parasite growth in P. falciparum culture. (C) 2009 IUBMB IUBMB Life, 61(11):1083-1091, 2009.

Ethyl 4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

In the molecular structure of the title compound, C21H25NO4, the dihydropyridine ring adopts a flattened boat conformation while the cyclohexenone ring is in an envelope conformation. In the crystal structure, molecules are linked into a two-dimensional network parallel to (10 (1) over bar) by N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds. The network is generated by R-4(4)(30) and R-4(4)(34) graph-set motifs.

1,2,3-Trifluorobenzene

In the title compound, C6H3F3, weak electrostatic and dispersive forces between C(delta+)-F(delta-) and H(delta+)-C(delta-) groups are at the borderline of the hydrogen-bond phenomenon and are poorly directional and further deformed in the presence of pi-pi stacking interactions. The molecule lies on a twofold rotation axis. In the crystal structure, one-dimensional tapes are formed via two antidromic C-H center dot center dot center dot F hydrogen bonds. These tapes are, in turn, connected into corrugated two-dimensional sheets by bifurcated C-H center dot center dot center dot F hydrogen bonds. Packing in the third dimension is furnished by pi-pi stacking interactions with a centroid-centroid distance of 3.6362 (14) angstrom.

2-Chloro-7,8-dimethylquinoline-3-carbaldehyde

All the non-H atoms of the title compound, C12H10ClNO, lie on a crystallographic mirror plane orientated perpendicular to the crystallographic b axis.

2-Chloroquinoline-3-carbaldehyde

The quinolinyl fused ring system of the title compound, C10H6ClNO, is planar (r.m.s. deviation = 0.018 angstrom); the formyl group is slightly bent out of the plane of the fused ring system [C-C-C-O torsion angle = 8.2 (3)degrees].

2-Chlorobenzo[h]quinoline-3-carbaldehyde

The benzo[h] quinolinyl fused-ring of the title compound, C14H8ClNO, is planar (r.m.s. deviation = 0.016 angstrom); the formyl group is slightly bent out of the plane [the C-C-C-O torsion angle is 10.7 (4)degrees].