Mechanochemical synthesis and X-ray structural characterization of three 3-nitrophenol cocrystals with three aminal cage azaadamantanes: the role of the stereoelectronic effect on intermolecular hydrogen-bonding patterns.

The structures of the cocrystalline adducts of 3-nitrophenol (3-NP) with 1,3,5,7-tetraazatricyclo[3.3.1.

Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetra-aza-tri-cyclo[4.3.1.1]undecane (TATU) and 4-chloro-3,5-dimethyl-phenol.

Solvent-free treatment of 1,3,6,8-tetra-aza-tri-cyclo-[4.3.1.

Synthesis and Antifungal Activity against Fusarium oxysporum of Some Brassinin Analogs Derived from l-tryptophan: A DFT/B3LYP Study on the Reaction Mechanism.

An efficient methodology to obtain novel antifungal analogs of brassinin is described. Starting from l-tryptophan , ,-dialkylthiourea , 4-[(1-indol-3-yl)methylene]-2-sulfanylidene-1,3-thiazolidin-5-one and alkyl (2)-3-(1-indol-3-yl)-2-{[(alkylsulfanyl)carbonothioyl]amino}propanoate type compounds were obtained as main products in different ratios depending on the reaction conditions via a tandem dithiocarbamate formation and Michael addition reaction. In order to understand the dependence of the reaction conditions on the mechanism pathway, a DFT/B3LYP study was performed.

(2S,7S)-10-Ethyl-1,8,10,12-tetra-aza-tetra-cyclo-[8.3.1.1(8,12).0(2,7)]penta-decan-10-ium iodide.

The title chiral quaternary ammonium salt, C(13)H(25)N(4) (+)·I(-), was synthesized through the Menschutkin reaction between the cage aminal (2S,7S)-1,8,10,12-tetra-aza-tetra-cyclo-[8.3.1.

1-Hexyl-1,3,6,8-tetra-aza-tricyclo-[4.3.1.1]undecan-1-ium iodide.

In the title compound, C(13)H(27)N(4) (+)·I(-), the ethyl-ene bridge is distorted from the ideal D(2d) symmetry wherein an N-C-C-N planar bridge, around whose C-C bond the C-N and C-H bonds are exactly eclipsed, is disordered over two sites with equal occupancies. In both disorder components, the hexyl chain adopts an ideal all-trans conformation. In the crystal, adjacent ions are connected by C-H⋯I hydrogen bonds, forming ionic pairs that are further linked into chains along [101] via a second C-H⋯I inter-action.

4,4'-Dichloro-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol.

The imidazolidine ring in the title compound, C(17)H(18)Cl(2)N(2)O(2), adopts a twist conformation. The observed conformation is stabilized by two intra-molecular O-H⋯N hydrogen bonds, with both N atoms acting as hydrogen-bond acceptors. The phenyl substituents are aligned at 70.

1-Heptyl-1,3,6,8-tetraaza-tricyclo-[4.3.1.1]undecan-1-ium iodide.

The title compound C(14)H(29)N(4) (+)·I(-) salt, was obtained by the reaction of cage adamanzane-type aminal 1,3,6,8-tetra-aza-tricyclo-[4.3.1.

Synthesis and structural studies of a new class of quaternary ammonium salts, which are derivatives of cage adamanzane type aminal 1, 3, 6, 8-tetraazatricyclo[4.3.1.13,8]undecane (TATU).

Background: Novel mono N-alkyl quaternary ammonium salts (3a-f) were prepared using the Menschutkin reaction from the cage adamanzane type aminal 1,3,6,8-tetraazatricyclo[4.3.1.

The solid-state 2:1 molecular complex of 1,5:3,7-dimethano-1,3,5,7-benzotetrazonine with hydroquinone.

The title compound, 1,5:3,7-dimethano-1,3,5,7-benzotetrazonine-hydroquinone (2/1), 2C(11)H(14)N(4).C(6)H(6)O(2), crystallizes with the hydroquinone molecule located on a center of inversion. In contrast to other hydroquinone-adamanzane adducts, which form extended hydrogen-bonded networks, in the present case, one hydroquinone molecule is linked to two 1,5:3,7-dimethano-1,3,5,7-benzotetrazonine molecules, forming a 2:1 cluster through O-H.