Sumati Anthal

Disubstituted diphenyldithiophosphates of cadmium: synthesis, characterization, and single-crystal X-ray structure

A series of new disubstituted diphenyldithiophosphate complexes of cadmium [{(ArO)2PS2}2Cd] (9–12) have been isolated in aqueous media while their donor stabilized adducts [{(ArO)2PS2}2Cd·2C5H5N] (13–16) [(Ar = 2,4-(CH3)2C6H3, 2,5-(CH3)2C6H3, 3,4-(CH3)2C6H3 and 3,5-(CH3)2C6H3)] have been isolated in chloroform. These newly synthesized complexes were characterized by elemental analyses, IR and NMR (1H, 13C and 31P) spectroscopic analyses. The dithiophosphate ligands are coordinated bidentate to the cadmium ion via the two thiolate sulfurs. The compounds [{(3,5-CH3)2C6H3O}2PS2HNEt3] (4) and [{(3,5-CH3)2C6H3O}2PS2]2Cd(NC5H5)2 (16) crystallize in the monoclinic system with space group P21/c. Single-crystal X-ray analysis of 4 reveals that phosphorus of the anion is tetrahedrally bonded to two S and two O atoms. The structure is stabilized by cation–anion N–H⋯S intermolecular hydrogen bond interactions. In 16, two diphenyldithiophosphate ions are bidentate with both sulfurs coordinated to cadmium. Each forms a four-membered chelate ring in the equatorial plane. Two pyridines are axially coordinated to cadmium leading to octahedral geometry. The thermal properties of this complex have also been examined by combined DTA/DTG thermal analyses. Graphical Abstract

Synthesis and biologic activities of some novel heterocyclic chalcone derivatives

We synthesized 36 chalcone-like (E)-3-(substitutedphenyl)-1-hetrylprop-2-en-1-ones by condensing 2-acetylfuran/2-acetylpyrrole with substituted benzaldehydes under basic conditions. Of the 36 molecules synthesized, 10 are new to the literature. Bio-evaluation studies of these molecules revealed that compounds 5, 9, 15, 25, and 29 were potent NorA efflux pump inhibitors against Staphylococcus aureus by reducing MIC of ciprofloxacin fourfold, while compounds 11, 21, 25, and 26 showed promising anticancer activity in all four tested cancer cell lines (HL-60, MOLT-4, PC-3, and HeLa). Compound 25 emerged as a very good potentiator of ciprofloxacin against multidrug resistant S. aureus and also showed promising anticancer activity. The present communication describes syntheses, bio-evaluation, and structure-related activity of the (E)-3-(substitutedphenyl)-1-hetrylprop-2-en-1-ones.

Ethyl 4-anilino-2,6-bis-(4-fluoro-phen-yl)-1-phenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

In the title compound, C32H28F2N2O2, the tetrahydropyridine ring adopts a distorted boat conformation. The two fluorophenyl groups are attached to the tetrahydropyridine ring in a trans orientation. The dihedral angle between the planes of the fluoro-substituted rings is 57.0 (1)°. The amino group and carbonyl O atom are involved in intramolecular hydrogen bonding. In the crystal, weak C—H⋯O, C—H⋯F and C—H⋯π interactions link the molecules into columns along [010].

Synthesis, Crystal Structure, and Characterization of 2-Phenyl-N-(pyrazin-2-yl)Acetamide

The title compound, 2-Phenyl-N-(pyrazin-2-yl)acetamide, C12H11N3O, was prepared by the coupling reaction and the product was crystallized by using toluene and methanol mixture(1:1) The structure of the compound was confirmed by elemental analysis, FTIR, 1H NMR, thermogravimetric analysis, differential thermal analysis, UV-Visible spectroscopy, and single-crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P 21/c with the following unit-cell parameters: a = 8.1614(10), b = 14.9430(13), c = 9.3877(9) Å, β = 103.653(12)°, and Z = 4. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.0465 for 1486 observed reflections. An intramolecular C&sbnd;H···O hydrogen bond generates an S(6) graph-set motif. In the crystal, molecules are linked by N&sbnd;H···O and C&sbnd;H···O hydrogen bonds, forming a two-dimensional network.

Synthesis, Characterization, Crystal Structure, and Thermal Analysis of 4-[(3-acetylphenyl)amino]-2-methylidene-4-oxobutanoic Acid

4-[(3-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid (1) is synthesized by a ring opening reaction of itaconic anhydride with 3-aminoacetophenone and characterized by FT-IR, 1H NMR, UV-Vis, TGA, DTA, and single crystal X-ray diffraction. The crystal of 1 belongs to triclinic unit cell in the P-1 space group with the unit cell dimensions a = 4.9485(3), b = 5.3614(6), c = 22.457(2) Å, α = 88.295(8), β = 89.379(7), γ = 84.495(7), and Z = 2 The crystal structure is solved by direct methods using single-crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.0467 for 1623 observed reflections. Intermolecular N&sbnd;H …O and O&sbnd;H …O hydrogen bonds links the molecules into chains along [010] direction. In addition the thermal stability of the 1 is determined by using DTA, TGA analysis, and wavelength absorption at λmax = 297 nm is determined by UV-Vis spectrophotometer.

Crystal structure of 15,16-ep-oxy-7β,9α-di-hydroxy-labdane-13(16),14-dien-6-one.

In the title molecule, C20H30O4, both cyclohexane rings adopt chair conformations. In the crystal, molecules are connected by O—H⋯O hydrogen bonds forming chains along [100]. In addtion, an intramolecular O—H⋯O hydrogen bond forms an S(5) ring.

Crystal structure of N-[(2-hy­droxy­naphthalen-1-yl)(4-methyl­phen­yl)meth­yl]acetamide

In the title molecule, C20H19NO2, the naphthalene ring system subtends a dihedral angle of 82.50 (7)° with the benzene ring and an intramolecular N—H⋯O hydrogen bond closes an S(6) ring. In the crystal, molecules are linked by O—H⋯O hydrogen bonds, which generate C(8) chains propagating in the [010] direction. The crystal structure also features weak π–π interactions [centroid–centroid separation = 3.7246 (10) Å].

5-((Meth­oxy­imino)­{2-[(2-methyl­phen­oxy)meth­yl]phen­yl}meth­yl)-N-phenyl-1,3,4-oxa­diazol-2-amine

In the title molecule, C24H22N4O3, the plane of the oxadiazole ring forms a dihedral angle of 32.41 (12)° with that of the phenyl ring and dihedral angles of 74.51 (10) and 56.38 (10)° with the planes of the benzene rings. In the crystal, pairs of N—H⋯N hydrogen bonds link molecules into inversion dimers featuring R 2 2(8) graph-set motifs.

4-Amino-3-(3-meth­oxy­benz­yl)-1H-1,2,4-triazole-5(4H)-thione

In the title molecule, C10H12N4SO, the triazole ring forms a dihedral angle of 73.0 (5)° with the benzene ring. The methoxy group is approximtely coplanar with the benzene ring with a C C—O—Cmethyl torsion angle of 4.7 (3)°. In the crystal, N—H⋯S hydrogen bonds connect pairs of inversion-related molecules, which are in turn connected by N—H⋯N hydrogen bonds into chains of rings along [010]. Weak C—H⋯O hydrogen bonds connect these chains into a two-dimensional network parallel to (-102).

2-Methylxanthen-9-one

In the title compound, C14H10O2, the tricycle is not planar, being bent with a dihedral angle of 4.7 (1)° between the two benzene rings. In the crystal, π–π interactions between the six-membered rings of neighbouring molecules [centroid–centroid distances = 3.580 (3) and 3.605 (3) Å] form stacks propagating along [101].