E. A. Zel’bst

Unusual crystal and molecular structure of tris(2-hydroxyethyl)ammonium fluoride

According to the X-ray diffraction data, the crystal and molecular structure of tris(2-hydroxyethyl) ammonium fluoride (F−N+H(CH2CH2OH)3, fluoroprotatrane, substantially differs from other halo protatranes X−N+H(CH2CH2OH)3 (X = Cl, Br, and I). At X = F, to the endo-molecular LP of the nitrogen atom the HF molecule having the minimum ionic radius in a series of X− anions is bonded. The geometry of fluoroprotatrane and the cation packing in the crystal are analyzed.

Unusual crystal and molecular structure of the 1-(1-silatranylmethyl)-3,5-dimethylpyrazole complex with zinc dichloride

The crystal and molecular structure of a 1-(1-silatranylmethyl)-3,5-dimethylpyrazole complex with zinc dichloride (I) is determined by XRD. The coordination polyhedron of the zinc atom is a tetrahedron formed by two covalent Zn-Cl bonds and coordination Zn ← N and Zn ← O bonds. Compound I is the first example of how an endocyclic oxygen atom of the silatranyl fragment participates in the coordination of the metal atom with the formation of a six-membered heterocycle.

Crystal and molecular structure of the complex of 2-(1-silatranylmethylthio)-4,5-benzo-1,3-thiazole with CoCl2 and MeCN

The crystal and molecular structure of the complex of 2-(1-silatranylmethylthio)-4,5-benzo-1,3-thiazole with CoCl2 and MeCN (I) is determined by single crystal X-ray diffraction. The geometry of the silatranylmethyl moiety in complex I is compared to the geometry of 1-(2′-benzthiazolylthiomethyl) silatrane. Molecular packing in the crystal is analyzed.

Crystal and molecular structure of the complex of N-(1-silatranylmethyl)-3,5-dimethylpyrazole with cobalt dichloride

X-ray diffraction is used to determine the crystal and molecular structure of the complex of N-(1-silatranylmethyl)-3,5-dimethylpyrazole with cobalt dichloride (I). This is yet another example of the participation of the endocyclic oxygen atom of the silatrane fragment in complexation with a metal atom. Metal dichloride interconnects two heterocyclic systems of dimethylpyrazole (DMP) and silatrane (Sa). The coordination polyhedron of the cobalt atom is a tetrahedron.

Crystal and molecular structure of N-(1-silatranylmethyl)phthalimide

By X-ray diffraction the crystal and molecular structure of N-(1-silatranylmethyl)phthalimide (SMP) is determined. The coordination polyhedron of the silicon atom in SMP, as in all silatranes, is a trigonal bipyramide; the phthalimide cycle is planar. The data presented indicate that the silatranylmethyl group almost does not affect the geometry of the phthalimide moiety.

Oxatrane is a parent compound of a new atrane family: Crystal and molecular structure of triethanolamine N-oxide

⎯ (previously O=NR3 or O → NR3) continue to attract interest of synthetic, theoretical, and applied chemists. They are already used in cosmetics, as bio medical agents, and as oxidants in a number of organic reactions (catalytic epoxidation and dihydroxylation of alkenes, catalytic oxidation of alcohols, etc.) [1, 2]. The most general method of their synthesis is the oxi dation of tertiary amines with hydrogen peroxide, per oxy acids, dioxiranes, and oxaazapyridines [1].

Intramolecular inductive through-space interaction between nitrogen and oxygen atoms in silatranes, quasisilatranes, protatranes, triethanolamine, and diethanolamine

[4], and their precursors: triethanolamine (TEA) and diethanolamine (DEA) [6],which are systematically and extensively studied by thescientific school by M.G. Voronkov for 50 years, continues to attract the attention of many researchers [5, 7].Until now, the main attention in describing stereoelectronic structure of silatranes and quasisilatranes hasbeen paid to the presence and nature of N→Siintramolecular coordination bond and N→Si–X axialfragment [1–5] and their basicity [8]. It was firmlyestablished (mainly by Xray diffraction) that silatranes have

Crystal and molecular structure of N-methyl-bis(2-hydroxyethyl)ammonium (4-chlorphenylsulfonyl)acetate

By X-ray diffraction the crystal and molecular structure of N-methyl-bis(2-hydroxyethyl)ammonium (4-chlorphenylsulfonyl)acetate 4-ClC6H4SO2CH2COO−·CH3N+H(CH2CH2OH)2 synthesized by the interaction of (4-chlorphenylsulfonyl)acetic acid with N-methyl-bis(2-hydroxyethyl)amine is studied.

Crystal and molecular structure of 1-(3-ammoniopropyl)silatrane chloride

By single crystal X-ray diffraction the crystal and molecular structure of 1-(3-ammoniopropyl)silatrane chloride (I) is determined. One of three cations in the asymmetric unit of the crystal of I differs from the other two by the length of the coordination N → Si bond. The opposite electronic effects in two geometrically similar cations are transferred inductively through a three-carbon chain.

Crystal and molecular structure of 4-chloro×(benzoyloxymethyl)trifluorosilane at 120 K

The crystal and molecular structure of 4-chloro(benzoyloxymethyl)trifluorosilane 4-ClC6H4COOCH2SiF3 was redetermined using X-ray diffraction. The coordination polyhedron of the silicon atom in this structure is a trigonal bipyramid. The length of the axial O → Si coordination bond is 2.074(1) Å.