5-Methyl-3-[1-(2-pyridylmeth-yl)-1H-benzimidazol-2-ylmeth-yl]isoxazole.

The title compound, C(18)H(16)N(4)O, is built up from fused six- and five-membered rings linked to a five-membered isoxazole ring and to a six-membered pyridine ring through a CH(2) group. The fused-ring system is essentially planar, with a maximum deviation of 0.019 (1) Å.

1-Benzyl-3-phenyl-quinoxalin-2(1H)-one.

The ten-membered fused ring system in the title compound, C(21)H(16)N(2)O(2), is planar (r.m.s.

10,10'-Methyl-enebis[2,3-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11(10H,11aH)-dione] dihydrate.

The organic mol-ecule and uncoordinated water mol-ecule in the crystal of the title compound, C(25)H(24)N(4)O(4)·2H(2)O, both lie on special positions of twofold symmetry. A twofold rotation axis passes through the methyl-ene C atom connecting the two dihydro-benzopyrrolodiazepindionyl parts. The seven-membered C(5)N(2) ring adopts a boat conformation.

1-Acetyl-4-phenyl-5a,6,7,8,9,9a-hexa-hydro-5H-1,5-benzodiazepin-2(1H)-one.

The seven-membered ring of the title compound, C(17)H(20)N(2)O(2), adopts an approximate boat conformation while the cyclo-hexyl ring adopts a chair conformation. In the crystal, adjacent mol-ecules are linked by N-H⋯O hydrogen bonds into a zigzag chain running along the c axis of the monoclinic unit cell.

4-Phenyl-9,12,15-trioxa-1,5,6,18-tetra-azatetra-cyclo-[16.6.1.0.0]penta-conta-2,4,19,21,23-pentaen-25-one.

The title compound, C(24)H(26)N(4)O(4), is a diaza-crown ether encompassing linked phenylpyrazolyl and benzimidazole units that contribute five atoms to the 16-atom ring. The two planar phenylpyrazolyl and benzimidazole units are aligned at an angle of 66.4 (1)°.

1-Methyl-3-phenyl-quinoxalin-2(1H)-one.

The phenyl substituents in both independent mol-ecules of the title compound, C(15)H(12)N(2)O, are twisted with respect to the quinoxaline system [dihedral angles = 19.3 (1) and 30.4 (1)°].

10-Allyl-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione.

The compound, C(15)H(16)N(2)O(2), features a pyrroline ring fused with a seven-membered diazepine ring; the latter system adopts a boat conformation (with the methine C atom as the prow and the two C atoms of the aromatic ring as the stern). A CH(2)-CH(2) segment of the pyrroline ring is disordered over two positions in a 1:1 ratio.

1,3-Diallyl-2-methyl-benzimidazolium bromide dihydrate.

The bonds in the five-membered ring of the title hydrated salt, C(14)H(17)N(2) (+)·Br(-)·2H(2)O, are delocalized. The cation lies on a special position of m site symmetry such that the mirror plane passes through the imidazol-yl-methyl bond and is perpendicular to the plane of the cation. The anion lies on another special position of 2 site symmetry.

1-Allyl-3-chloro-6-nitro-1H-indazole.

The indazole system in each of the two independent mol-ecules of the title compound, C(10)H(8)ClN(3)O(2), is planar (r.m.s.

3-Methyl-1-propargylquinoxalin-2(1H)-one.

The ten-membered fused ring of the title compound, C(12)H(10)N(2)O, is essentially planar in the two independent mol-ecules of the asymmetric unit (r.m.s.

1-Benzyl-3-[(dimethyl-amino)methyl-ene]-4-phenyl-1H-1,4-benzodiazepin-2(3H)-one.

The title compound, C(25)H(23)N(3)O, features a benzene ring fused with a seven-membered 1,4-diazepine ring; the latter ring adopts a boat conformation with the (dimethyl-amino)methyl-bearing C atom as the prow and the fused-ring C atoms as the stern. There are two independent mol-ecules in the asymmetric unit with similar conformations.

7,9-Diallyl-6-methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-one.

The title compound, C(12)H(15)N(5)O, features a triazolyl ring fused with a seven-membered triazepinyl ring; the latter ring adopts a boat conformation with the allyl-bearing C atom as the prow and the C and N fused-ring atoms as the stern.

6-Methyl-7,7,9-tripropargyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-one.

The title compound, C(15)H(13)N(5)O, features a triazolyl ring fused with a seven-membered triazepinyl ring; the latter ring adopts a boat conformation (with the propargyl-bearing C atom as the prow and the fused-ring C/N atoms as the stern).

Gas-phase fragmentation study of novel synthetic 1,5-benzodiazepine derivatives using electrospray ionization tandem mass spectrometry.

The fragmentation patterns of a series of three novel synthesized 3-hydroxy-4-phenyl-tetrahydro-1,5-benzodiazepin-2-ones (1-3), possessing the same backbone structure, were investigated using electrospray ionization mass spectrometry (ESI-MS) and tandem mass spectrometry (MS/MS) techniques. A simple methodology, based on the use of ESI (positive ion mode) and by increasing the declustering potential in the atmospheric pressure/vacuum interface, collision-induced dissociation (CID), was used to enhance the formation of the fragment ions. In general, the novel synthetic 1,5-benzodiazepine derivatives afforded, in the gas phase, both protonated and sodiated molecules.

Electrospray tandem mass spectrometric analysis of novel synthetic quinoxalinone derivatives.

Electrospray ionization tandem mass spectrometry (ESI-MS/MS) using a hybrid QqToF-MS/MS instrument has aided the structural characterization and differentiation of a novel series of medicinal synthetic 1-N-glycoside-quinoxalinone derivatives. These derivatives 7 and 8 are formed by an amino bond between the cyclic N-1 of the quinoxaline moiety and the C-6 position of a fully protected methyl or allyl alpha-D-mannofuranoside 3 and 4, and subsequent deprotection of the mannopyranoside moiety. In general the novel synthetic quinoxaline derivatives afforded the protonated molecules in ESI.

Dimethyl 3-acetyl-3-(1,3-benzothia-zol-2-yl)penta-nedioate.

The title compound, C(16)H(17)NO(5)S, was one of two condensation products from the reaction of 1-(1,3-benzothia-zol-2-yl)propan-2-one with methyl chloro-acetate. The non-H atoms in each of the four substituent groups on the central quaternary C atom are virtually coplanar. The maximum deviations from the least-squares planes are 0.

1-Ethyl-3-methyl-quinoxalin-2(1H)-one.

The asymmetric unit of the title compound, C(11)H(12)N(2)O, contains two independent mol-ecules. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules. There are π-π contacts between the quinoxaline rings [centroid-centroid distances = 3.

Towards the synthesis of new benzimidazolone derivatives with surfactant properties.

New water-soluble benzimidazolone derivatives were synthesized. In the first approach, di-N-glycosyl and mono-N-alkyl-N-glycosyl compounds were obtained by grafting C-6-activated glycosides onto benzimidazolone. In the second approach, benzimidazolone derivatives bearing a glucosyl unit were synthesized using an efficient glycosylation method.

Spectroscopic characterization and theoretical simulation of 1,4-diallylquinoxaline-2,3-dione self dimer.

Room temperature UV-vis absorption and emission spectra of the 1,4-diallylquinoxaline-2,3-dione (DAQX) are measured in solution at different concentrations. Even at very low concentration (approximately 10(-7)M), DAQX is shown to form ground state van der Waals dimers and excited dimers. These later species do not seem to rearrange into an excimer geometry.

2-Acetyl-4H-benzothiazin-3(2H)-one.

The title compound, C(10)H(9)NO(2)S, has a boat-shaped heterocyclic six-membered ring such that the S and N atoms lie essentially in the plane of the benzene ring while the remaining two C atoms are above this plane.

[Complexation du 2-[(5-méthylpyrazolyl)méthyle]benzimidazole par les chlorures de cuivre et de cadmium].

The structures of dichloro[2-[(5-methyl-1H-pyrazol-3-yl-kappaN(2))methyl]-1H-1,3-benzimidazole-kappaN(3)]copper(II), [CuCl(2)(C(12)H(12)N(4))], and di-mu-chloro-bis(chloro[2-[(5-methyl-1H-pyrazol-3-yl-kappaN(2))methyl]-1H-1,3-benzimidazole-kappaN(3)]cadmium(II)), [Cd(2)Cl(4)(C(12)H(12)N(4))(2)], show that these compounds have the structural formula [ML(Cl)(2)](n), where L is 2-[(5-methylpyrazolyl)methyl]benzimidazole. When M is copper, the complex is a monomer (n = 1), with a tetrahedral coordination for the Cu atom. When M is cadmium (n = 2), the complex lies about an inversion centre giving rise to a centrosymmetric dimer in which the Cd atoms are bridged by two chloride ions and are pentacoordinated.

[Synthesis and pharmacological study of three 1-alkyl-3-(ethoxycarbonylmethylene)-2-oxo quinoxalines].

The acute toxicity study and the psychotropic activity of three alkylated derivatives of 3-(ethoxycarbonylmethylene) -2-oxo quinoxaline did not demonstrate any toxicity of these products at therapeutic dosages. In the animal, these compounds have sedative, myorelaxant and anxiolytic properities.

Antibacterial and molluscicidal activities of the essential oil of Chrysanthemum viscidehirtum.

The volatile fraction of Chrysanthemum viscidehirtum aerial parts, consisting mainly of limonene, beta-farnesene and many oxygenated sesquiterpenes, was screened for activity against 21 microbial strains. This essential oil exhibited activity against all germs tested, in particular Salmonella typhi and Proteus mirabilis. It also showed molluscicidal activity against Bulinus truncatus.

[Synthesis and pharmacological study of 7-phenyl-1,4-diazepin-5-one and its derivatives].

We studied the synthesis and psychotropic activity of the 7-phenyl-1,4-diazepin-5-one and derivatives. It can be conclude that these products have sedative, myorelaxant and anxiolytic actions. The toxicity study demonstrated that two diazepines are non-toxic at therapeutic dosages but that a third compound is very toxic.