The title compounds were synthesised by condensation of N,N’-dialkylsulfamides with glyoxal and structurally characterised by X-ray diffraction analysis.

The interaction of 1,3-diaminopropane with glyoxal and NaOCl in water at pH 9.5–10.5 afforded the previously unknown 6,6′-bis(1,5-diazabicyclo[3.1.0]hexane). According to X-ray diffraction data, both bicyclic fragments of the title compound adopt a boat conformation.

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

It has been established that the reaction of 2,3-dioxopyrrolo[2,1- a ]isoquinolines with hydrazine occurs at the lactam carbonyl with fission of the pyrroledione ring and the formation of enaminoketohydrazides, the structure of which was confirmed by x-ray crystallographic and spectral data on these compounds and their derivatives (hydrazones).

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

The effect of benzannelation on the equilibrium conformation and flexibility of the dihydrocycle in cyclohexa-1,4-dienone,para-quinone, and their imino and methylene analogs was studied by the semiempirical quantum-chemical AM1 method. The equilibrium conformations of the carbonyl derivatives are planar. In the imino- and methylene-substituted analogs, the dihydrocycle adopts a boat conformation due to repulsions between substituted analogs, the dihydrocycle adopts a boat conformation due to repulsions between the hydrogen atoms at the exocyclic double bond and in theperi positions of the benzene rings. Annelation of cyclohexa-2,5-dien-1-one andpara-quinone with benzene rings at the C=C double bonds causes an increase in the conformational flexibility of the partially hydrogenated ring owing to an increase in the bending strain in the first compound and a decrease in the conjugation between the carbonyl groups and the remaining part of the molecule in the second compound.

Depending on the reaction conditions, dimethylaminomethylenemalonaldehyde aminal acetal reacts with malonodinitrile or alkyl cyanoacetates to give various neutral or ionic cross-conjugated polynitriles. Cation-anionic cyanine dyes were obtained from tri- and tetracyanopolymethine salts. The conformation and geometric parameters of the tetramethyl 3-dimethylaminomethylenepenta-1,4-diene-1,1,5,5-tetracarboxylate molecule were established by X-ray diffraction analysis.

The molecular structure of the title E-(syn)-2,4-dinitrophenylhydrazone (DNPH) has been determined and compared with that of the known parent ketone. Semiempirical (AM1, PM3) and molecular mechanics (MM+, Sybyl) calculations gave inconclusive results regarding the possible configurations (syn versus anti) and conformations (s-cis versus s-trans). In the crystal the title molecule is almost planar in an s-trans conformation with the phenyl ring twisted by 30.0° out of the furan plane. Thus, the present DNPH, in the syn configuration, mimics very well the conformation of the parent crystalline ketone. The previous assignment based on solution data of this DNPH as anti is incorrect. It is thus shown that due to the strong intramolecular hydrogen bond NH⋯O2N (ortho) within the DNPH part, the syn-anti DNPH formation is not affected by the putative hydrogen bond to the furanic oxygen atom.

The structure oftrans-2,6-dimethallyl-1,1-dimethyl-1,2,3,6-tetrahydropyridinium iodide was established by X-ray structural analysis. The corresponding base was synthesized by reductive diallylation of pyridine with trimethallylborane in the presence of 2-propanol.

Oxidative transformations of 2-dialkylaminomethyl-4,6-di- tert -butylphenols depend on the nature of the oxidant, the character of the substituents at the nitrogen atom, and the medium. A mechanism of the oxidation of these compounds is suggested. The molecular structure of the compound obtained as a result of oxidative trimerization of 2-dimethylaminomethyl-4,6-di- tert -butylphenol was established by X-ray structural analysis.

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Macrocyclic poly(diazene oxide furazans) have been synthesised for the first time: the tetraoxide was prepared by the oxidation of diazene fragments in the tetradiazenofurazan macrocycle, and the dioxides were synthesised by the intramolecular and intermolecular oxidative cyclisation of structures already containing diazene oxide fragments. The structure of the tetraoxide derivative has been established by X-ray diffraction analysis.

When treated with triallylborane and McOH, the product of the 1,2-addition of PhLi to pyridine transforms totrans-2-allyl-6-phenyl-1,2,3,6-tetrahydropyridine. The structure of its hydrochloride was established by X-ray structural analysis.

2-R-amino-4,6-bis (trinitromethyl)-1,3,5-triazines have been synthesized, and their structures have been established. Dynamic13C NMR spectroscopy has been used to measure the rotational barriers of the tertbutylamino group around the C(2)-NHBu-t bond in 2-(tert-butylamino)-4,6-dichloro-1, 3, 5-triazine and 2-(tertbutylamino)-4,6-dimethoxy-1,3,5-triazine. X-ray diffraction was used to investigate the structure of 2-(tertbutylamino)-4,6-bis (trinitromethyl)-1,3,5-triazine. From the results obtained in this work it has been concluded that the bond between the NHBu-t group and the triazine ring has a partial double-bond character.

The oxidative cyclocondensation of 3,4-diaminofurazan and 4,4′-diamino-3,3′-azofurazan with dibromoisocyanurate afforded macrocyclec polydiazenofurazans. The reaction can be directed towards the formation of both the four-membered cycle alone or the three-, six-, and eight-membered macrocycles.