A.A. Yakovenko

Reactions of aminophenols with formaldehyde and hydrogen sulfide

The reaction of m-aminophenol with CH2O and H2S (1: 2: 1 ratio) afforded 2, 12-dioxa-4, 14-dithia-6, 16-diazatricyclo[15.3.1.17,11]docosa-1(20), 7(22), 8, 10, 17(21), 18-hexaene in ∼9% yield. Aminophenol o-and p-isomers react with CH2O and H2S (1: 3: 2) to form 2-and 4-[4H-1,3,5-dithiazin-5(6H)-yl]phenols in 86 and 71% yields, respectively. In the crystal structure of the latter, molecules contain dithiazine cycles in the chair conformation with the axial hydroxyphenyl group. Molecular packing represents a combination of molecules forming chains due to the OH...S intermolecular hydrogen bond.

Coordination chemistry of anticrowns. Synthesis and structure of a complex of cyclic trimeric perfluoro-o-phenylenemercury (o-C6F4Hg)3 with tungsten hexacarbonyl

The reaction of the three-mercury anticrown (o-C6F4Hg)3 (1) with tungsten hexacarbonyl in CH2Cl2 at 20 °C in the dark affords the complex {[(o-C6F4Hg)3]2[W(CO)6]} (2) containing two anticrown molecules per W(CO)6 molecule. According to the X-ray diffraction data, two carbonyl groups of W(CO)6 are involved in the formation of 2, each of these carbonyl groups being coordinated via the oxygen atom to a single mercury center of one of the two molecules 1. The formation of the complex is accompanied by a shift of ν(CO) bands in the IR spectrum with respect to the corresponding bands of the starting W(CO)6.

Mixed crystal of bidentate and tridentate perfluoro-phenylmercury Lewis acids with organic molecules

than optimal” [1]. Nevertheless, it is important to appreciate the preferred arrangement of functional groups within a non-covalent interaction if a crystal is to be engineered. An understanding of the relative energetics of different interaction motifs as well as the effect of changes in the geometry on the interaction energy is also crucial when designing or analysing crystal structures. Towards this goal a number of intermolecular interaction types have been investigated based on energy and geometry, including cyano...cyano contacts and hydrogen bonds to C=S acceptors. A combination of approaches has been used in this study to investigate the changes in the non-covalent interactions. Firstly, a study of structures available in the Cambridge Structural Database [2] has been performed to determine the relative directionalities of the interactions and their preferred geometries in the solid state. Intermolecular interaction energy calculations have then been carried out using intermolecular perturbation theory as implemented in the CADPAC 6.5 program package [3]. [1] Dunitz, J. D., Schweizer, W. B. (2007). CrystEngComm, 9, 266-269. [2] Allen, F. H. (2002). Acta Crystallographica, Section B58, 380-388. [3] Amos, R. D. et al. (1998). CADPAC 6.5, The Cambridge Analytic Derivatives Package.

Redetermination of the Diels–Alder diadduct of 1,4‐benzo­quinone and cyclo­penta­diene: 1,4:5,8‐di­methano‐1,1a,4,4a,5,5a,8,8a‐octa­hydro­anthracene‐9,10‐dione

The title diadduct, C16H16O2, has been redetermined by X-ray diffraction methods at 120 K. In this work, we report more exact values of bond and angles.