Anti-Malarial Activity of Amentoflavone Isolated from Leaf of Calophyllum Tomentosum Wight.

Calophyllum tomentosum belonging to Clusiaceae family is an Indian medicinal plant used as folklore medicine to cure various kinds of diseases reported in Ayurveda, and the leaves of the plant are also used as an active ingredient for the preparation of a botanical medicine known as 'Punnaga', 'Surapunnaga' and 'Tamoil' among other common names. Chemical profiling of the methanol extract of the defatted leaf revealed the presence of amentoflavone (1) as one of the constituents along with coumarins, terpenoids, steroids, and apetalic acids. Structural determination of amentoflavone (1) has been conducted by chemical, spectral, and spectrometric methods in comparison with spectral values available in the literature and confirmed by a single crystal X-ray diffraction study.

A New Rare Halogenated Depside from Lichen and Study of its Anti-Proliferative Activity.

Lichens are a symbiotic association of algae and fungus, belonging to the family Parmeliaceae. Some lichen species are edible and used as an active ingredient for preparation of exotic spices as well as folklore medicine to cure different kinds of ailments. A specimen of lichen was collected from Munner in the Kerala State of South India for chemical profiling.

Syntheses and crystal structures of three salts of 1-(4-nitro-phenyl)-piperazine.

The crystal structures and Hirshfeld surface analyses of three salts of 1-(4-nitro-phenyl)-piperazine with 2-chloro-benzoic acid, 2-bromo-benzoic acid and 2-iodo-benzoic acid are reported. The chloro-benzoate salt, CHNO ·CHClO , contains whole-ion-disordered cations and anions, which were modeled with two equivalent conformations with occupancies of 0.745 (10)/0.

Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitro-phenyl)-piperazine.

The structures and Hirshfeld surface analysis of three salts of 1-(4-nitro-phenyl)-piperazine are discussed. In 4-(4-nitro-phen-yl)piperazin-1-ium salicylate (CHNO ·CHO ), there are strong hydrogen bonds between cation and anion and the 4-nitro-phenyl substituent occupies an equatorial position in the piperazinium ring. The cation and anion are linked together by supra-molecular inter-actions [graph-set notation of hydrogen bonding (6) propagating in the -axis direction].

Syntheses, crystal structures and Hirshfeld surface analysis of 4-(4-nitro-phen-yl)piperazin-1-ium tri-fluoro-acetate and 4-(4-nitro-phen-yl)piperazin-1-ium tri-chloro-acetate.

The synthesis and crystal structures of the mol-ecular salts of 4-(4-nitro-phen-yl)piperazine with tri-fluoro-acetate, namely, 4-(4-nitro-phen-yl)piperazin-1-ium tri-fluoro-acetate, CHNO ·CFO (I), and with tri-chloro-acetate, namely, 4-(4-nitro-phen-yl)piperazin-1-ium tri-chloro-acetate, CHNO ·CClO , (II), are reported and compared. A partial positional disorder of the anions was found. In both structures, the piperazine rings adopt a chair conformation, whereas the positions of the nitro-phenyl group on the piperazine ring differ from bis-ectional in (I) to equatorial in (II).

Isopropyl 4-amino-benzoate.

The title compound, CHNO, crystallizes with two mol-ecules ( and ) in the asymmetric unit. For , the dihedral angle between the plane of the phenyl ring and the -propyl substituent is 65.4 (3)° while for this angle is 67.

Anti-Proliferative Acyl Phenols and Arylnonanoids from the Fruit Rind of Myristica malabarica Lam.

Phytochemical investigation of the methanol extract of the fruit rind of Myristica malabarica led to the isolation of eight known compounds that were identified as malabaricones A-D, promalabaricones B and C, 1-(2,6-dihydroxyphenyl)tetradecan-1-one, and ericanone by comparison with literature spectroscopic data. The structures of malabaricones A-D, promalabaricone B, and 1-(2,6-dihydroxyphenyl)tetradecan-1-one were confirmed by X-ray crystallography. In vitro assay of the isolated phenols indicated that they exhibited moderate anti-proliferative activity against the A2780 human ovarian cancer cell.

The structures of eleven (4-phen-yl)piperazinium salts containing organic anions.

Eleven (4-phen-yl)piperazinium salts containing organic anions have been prepared and structurally characterized, namely, 4-phenyl-piperazin-1-ium 4-fluoro-benzoate monohydrate, CHN ·CHFO ·HO, ; 4-phenyl-piperazin-1-ium 4-bromo-benzoate monohydrate, CHN ·CHBrO ·HO, ; 4-phenyl-piperazin-1-ium 4-iodo-benzoate, CHN ·CHIO , ; 4-phenyl-piperazin-1-ium 4-nitro-benzoate, CHN ·CHNO , ; 4-phenyl-piperazin-1-ium 3,5-di-nitro-salicylate, CHN ·CHNO , ; 4-phenyl-piperazin-1-ium 3,5-di-nitro-benzoate, CHN ·CHNO , ; 4-phenyl-piperazin-1-ium picrate, CHN ·CHNO , ; 4-phenyl-piperazin-1-ium benzoate monohydrate, CHN ·CHO ·HO, ; 4-phenyl-piperazin-1-ium -toluene-sulfonate, CHN ·CHOS, ; 4-phenyl-piperazin-1-ium tartarate monohydrate, CHN ·CHO ·HO, ; and 4-phenyl-piperazin-1-ium fumarate, CHN ·CHO , . Compounds and - are all 1:1 salts with the acid proton transferred to the phenyl-piperaizine basic N atom (the secondary amine) with the exception of where there is disorder in the proton position with it being 68% attached to the base and 32% attached to the acid. Of the structures with similar stoichiometries only and are isomorphous.

Synthesis, structural characterization, and evaluation of new peptidomimetic Schiff bases as potential antithrombotic agents.

Unlabelled: New Schiff bases functionalized with amide and phenolic groups synthesized by the condensation of 2-hydroxybenzaldehyde and 2-hydroxyacetophenone with amino acid amides which in turn were prepared in two steps from -Boc-amino acids and homoveraltrylamine through intermediate compounds -Boc-amino acids amides. The compounds were characterized by elemental analysis, FT-IR, UV-Vis, and NMR spectroscopy. The crystal structures of three Schiff bases were determined by single crystal X-ray diffraction.

Crystal-structure studies of 4-phenyl-piperazin-1-ium 4-eth-oxy-benzoate monohydrate, 4-phenyl-piperazin-1-ium 4-meth-oxy-benzoate monohydrate, 4-phenyl-piperazin-1-ium 4-methyl-benzoate monohydrate and 4-phenyl-piperazin-1-ium tri-fluoro-acetate 0.12-hydrate.

In this study, four new piperazinium salts, namely, 4-phenyl-piperazin-1-ium 4-eth-oxy-benzoate monohydrate, CHO·CHN·HO (); 4-phenyl-piperazin-1-ium 4-meth-oxy-benzoate monohydrate, CHN·CHO·HO (); 4-phenyl-piperazin-1-ium 4-methyl-benzoate monohydrate, CHN·CHO·HO (); and 4-phenyl-piperazin-1-ium tri-fluoro-acetate 0.12 hydrate, CHN·CFO·0.12HO (), have been synthesized.

Crystal structures of six 4-(4-nitro-phenyl)-piperazin-1-ium salts.

Six piperazinium salts, namely 4-(4-nitro-phenyl)-piperazin-1-ium 4-bromo-ben-zo-ate dihydrate, CHNO ·CHBrO ·2HO, (I), 4-(4-nitro-phenyl)-pi-per-a-zin-1-ium 4-iodo-benzoate dihydrate, CHNO ·CHIO ·2HO, (II), 4-(4-nitro-phenyl)-piperazin-1-ium 4-hy-droxy-benzoate monohydrate, CHNO ·CHO ·HO, (III), 4-(4-nitro-phenyl)-piperazin-1-ium 4-methyl-benzoate monohydrate, CHNO ·CHO ·HO, (IV), 4-(4-nitro-phenyl)-piperazin-1-ium 4-meth-oxy-benzoate hemihydrate, 2CHNO ·2CHO ·HO, (V), and 4-(4-nitro-phenyl)-piperazin-1-ium 4-eth-oxy-benzoate, 2CHNO ·2CHO , (VI), have been synthesized and their crystal structures solved by single-crystal X-ray diffraction, revealing that all of them crystallize in the triclinic space group except for (V), which crystallizes in the monoclinic space group 2/ and has a disordered nitro group. Compounds (I) and (II) are isostructural. The crystal packing of (I)-(V) is constructed from organic chains formed by a combination of hydrogen bonds of type N-H⋯O and/or O-H⋯O and other weak inter-actions of type C-H⋯O and/or C-H⋯π, forming sheets, whereas (VI) shows a cationic and anionic-based layer structure.

Bi- and trimetallic complexes with macrocyclic xanthene-4,5-diNHC ligands.

Three different types of bimetallic NHC-metal complexes were synthesized, whose NHC units are attached at the 4,5-positions of xanthene. The NHC units are in close proximity and are designed such that each carbene coordinates one ML unit, while the chelation of one metal by two NHC is not possible. Several xanthene-((NHC)ML) complexes with ML = RhCl(cod), IrCl(cod), RhCl(CO), IrCl(CO), AuCl, AgCl, CuCl and Pd(allyl)Cl were synthesized and investigated.

Crystal structure studies of 4-ethyl-piperazin-1-ium 3,5-di-nitro-benzoate, 4-methyl-piperazin-1-ium 3,5-di-nitro-benzoate and 4-methyl-piperazin-1-ium 4-iodo-benzoate.

As part of our ongoing investigation on the chemical and biological properties of piperazinium salts, we synthesized three novel compounds: 1-ethyl-piperazinium 3,5-di-nitro-benzoate (I), 1-methyl-piperazinium 3,5-di-nitro-benzoate (II) and 1-methyl-piperazinium 4-iodo-benzoate (III). The crystal structures of these compounds are built up of organic layers formed by the strong connection between the mol-ecules by hydrogen bonds of type N-H⋯O. These layers are linked through N-H⋯O hydrogen bonds and C-H⋯O inter-actions or C-I⋯N halogen bonding, leading to the formation of a three-dimensional network.

Crystal structures of three -acyl-hydrazone isomers.

The crystal structures of three isomers of ()-4-chloro--{2-[2-(chloro-benzyl-idene)hydrazin-yl]-2-oxoeth-yl}-benzene-sulfonamide, namely, ()-4-chloro--{2-[2-(2-chloro-benzyl-idene)hydrazin-yl]-2-oxoeth-yl}-benzene-sulfonamide (I), ()-4-chloro--{2-[2-(3-chloro-benzyl-idene)hydrazin-yl]-2-oxoeth-yl}-benzene-sul-fon-amide (II) and ()-4-chloro--{2-[2-(4-chloro-benzyl-idene)hydrazin-yl]-2-oxo-eth-yl}-benzene-sulfonamide (III), with the general formula CHClNOS are described, with the chloro group in , and positions in the benzyl-idene benzene ring. All the three isomeric compounds crystallize in the centrosymmetric triclinic space group with one mol-ecule each in the asymmetric unit and two mol-ecules in the unit cell. The dihedral angles between the two phenyl rings are 11.

The crystal structures of three disordered 2-substituted benzimidazole esters.

The crystal structures of three benzimidazole esters containing aryl or heterocyclic substituents at position 2 are reported, and all three exhibit disorder of mol-ecular entities. In ethyl 1-methyl-2-[4-(prop-2-yn-oxy)phen-yl]-1-benzimidazole-5-carboxyl-ate, CHNO, (I), the prop-2-yn-1-oxyphenyl unit is disordered over two sets of atomic sites having effectively equal occupancies, 0.506 (5) and 0.

Reduced 3,4'-bi-pyrazoles carrying thio-phene and thia-zole substituents: structures of two intermediates and two products.

Cyclo-addition reactions between 3-(5-ar-yloxy-3-methyl-1-phenyl-1-pyrazol-4-yl)-1-(thio-phen-2-yl)prop-2-en-1-ones and thio-semicarbazide leads to the formation of reduced 3,4'-bi-pyrazole-2-carbo-thio-amides. Further cyclo-addition of these inter-mediates with either diethyl acetyl-enedi-carboxyl-ate or 4-bromo-phenacyl bromide leads to reduced 3,4'-bi-pyrazoles carrying oxo-thia-zole or thia-zole substituents, respectively. The structures of two representative inter-mediates and two representative products established unambiguously the regiochemistry of the cyclo-addition reactions.

Two 3-amino-1-pyrazol-2-ium salts containing organic anions, and an ortho-rhom-bic polymorph of 3-amino-1-pyrazol-2-ium nitrate.

Co-crystallization from methanol of 3-amino-1-pyrazole with 3,5-di-nitro-benzoic acid produces 3-amino-1-pyrazol-2-ium 3,5-di-nitro-benzoate monohydrate, CHN ·CHNO ·HO, (I), while similar co-crystallization of this pyrazole with an equimolar qu-antity of fumaric acid produces bis-(3-amino-1-pyrazol-2-ium) fumarate-fumaric acid (1/1), 2CHN ·CHO ·CHO, (II). The reaction of 3-amino-1-pyrazole with a dilute solution of nitric acid in methanol yields a second, ortho-rhom-bic polymorph of 3-amino-1-pyrazol-2-ium nitrate, CHN ·NO , (III). In each of (I)-(III), the bond distances in the cation provide evidence for extensive delocalization of the positive charge.

Six 1-halobenzoyl-4-(2-meth-oxy-phen-yl)piperazines having ' values of one, two or four; disorder, pseudosymmetry, twinning and supra-molecular assembly in one, two or three dimensions.

Six 1-halobenzoyl-4-(2-meth-oxy-phen-yl)piperazines have been prepared using carbodi-imide-mediated coupling reactions between halo-benzoic acids and -(2-meth-oxy-phen-yl)piperazine. The mol-ecules of 1-(4-fluoro-benzo-yl)-4-(2-meth-oxy-phen-yl)piperazine, CHFNO (I), are linked into a chain of rings by a combination of C-H⋯O and C-H⋯π(arene) hydrogen bonds. 1-(4-Chloro-benzo-yl)-4-(2-meth-oxy-phen-yl)piperazine, CHClNO (II), crystallizes in the space group 2 with ' = 4 and it exhibits both pseudosymmetry and inversion twinning: a combination of six C-H⋯O and two C-H⋯π(arene) hydrogen bonds generate a three-dimensional assembly.

1-(3,5-Di-nitro-benzo-yl)-4-(2-meth-oxy-phen-yl)piper-azine.

In the title compound, CHNO, the piperazine ring adopts a chair conformation, the amidic N atom is planar (sum of angles = 360°) and the non-amidic N atom is pyramidal (343°). There are no hydrogen bonds of any kind in the crystal, but the mol-ecules are linked by two independent π(nitro-benzene)⋯π(meth-oxy-benzene) stacking inter-actions to form π-stacked sheets with inter-centroid separations of 3.8444 (12) and 3.

Fifteen 4-(2-meth-oxy-phen-yl)piperazin-1-ium salts containing organic anions: supra-molecular assembly in zero, one, two and three dimensions.

Fifteen 4-(2-meth-oxy-phen-yl)piperazin-1-ium salts containing organic anions have been prepared and structurally characterized. In the isostructural 4-chloro-benzoate and 4-bromo-benzoate salts, CHNO·CHClO (I) and CHNO·CHBrO (II), and the 4-iodo-benzoate salt CHNO·CHIO (III), the ions are linked by N-H⋯O hydrogen bonds, forming centrosymmetric (12) four-ion aggregates; a similar aggregate is formed in the 2-chloro-benzoate salt (V), isomeric with (I). In the 2-fluoro-benzoate salt CHNO·CHFO (IV), and the isomorphous pair of salts, the 2-bromo-benzoate (VI), isomeric with (II) and 2-iodo-benzoate (VII), isomeric with (III), N-H⋯O and C-H⋯π(arene) interactions link the components into three-dimensional arrays.

A very short O-H⋯O hydrogen bond in the structure of clozapinium hydrogen bis-(3,5-di-nitro-benzoate).

In the title salt {systematic name: 4-[6-chloro-2,9-di-aza-tri-cyclo-[9.4.0.

Order disorder in two isomorphous pyrazolone-substituted diethyl propane-dioates prepared using a three-component one-pot reaction under solvent-free conditions.

Two new substituted propane-dioate esters have been synthesized using a three-component solvent-free thermal reaction between diethyl propane-dioate (diethyl malonate), 5-chloro-3-methyl-1-phenyl-1-pyrazole-4-carbaldehyde and an aryl azide, forming two new C-C bonds in a single step. The products diethyl ()-2-[(4-bromo-phen-yl)(5-methyl-3-oxo-2-phenyl-2,3-di-hydro-1-pyrazol-4-yl)meth-yl]propane-dioate, CHBrNO (I), and diethyl ()-2-[(4-chloro-phen-yl)(5-methyl-3-oxo-2-phenyl-2,3-di-hydro-1-pyrazol-4-yl)meth-yl]propane-dioate, CHClNO (II), are isomorphous, with ' = 2 in space group 2/. The two independent mol-ecules in compound (I) are both fully ordered, while each of the independent mol-ecules in compound (II) is disordered, but in different ways.

The crystal structures of salts of -(4-fluoro-phen-yl)piperazine with four aromatic carb-oxy-lic acids and with picric acid.

The structures are reported for five salts formed by reactions between -(4-fluoro-phen-yl)piperazine and aromatic acids. In 4-(4-fluoro-phen-yl)piperazin-1-ium 2-fluoro-benzoate monohydrate, CHFN ·CHFO ·HO, (I), the components are linked by a combination of N-H⋯O and O-H⋯O hydrogen bonds to form a chain of alternating (12) and (16) rings. The ionic components of 4-(4-fluoro-phen-yl)piperazin-1-ium 2-bromo-benzoate 0.

Two -{[4-(3-aryl-4-sydnonyl-idene-amino)-5-sulfan-yl-idene-1-1,2,4-triazol-3-yl]meth-yl}benzamides as disordered ethanol monosolvates.

Two new -{[4-(3-aryl-4-sydnonyl-idene-amino)-5-sulfanyl-idene-1-1,2,4-triazol-3-yl]meth-yl}benzamides have been prepared by acid-promoted condensation reactions between 3-aryl-4-formyl-sydnones and -[(4-amino-5-sulfanyl-idene-1-1,2,4-triazol-3-yl)meth-yl]benzamide, and both have been crystallized as ethanol monosolvates. -{[4-(3-Phenyl-4-sydnonyl-idene-amino)-5-sulfanyl-idene-1-1,2,4-triazol-3-yl]meth-yl}benzamide ethanol monosolvate, CHNOS·CHO (), and -({4-[3-(4-methyl-phen-yl)-4-sydnonyl-idene-amino]-5-sulfanyl-idene-1-1,2,4-triazol-3-yl}meth-yl)benzamide ethanol monosolvate, CHNOS·CHO (), differ only in the presence of a methyl group for () instead of a hydrogen atom for (), and in both of them the ethanol component is disordered over two sets of atomic sites having occupancies of 0.836 (6) and 0.