Проведен анализ кристаллической структуры молекул (органил)трифторсиланов, содержащих атом кремния в пентакоординированном состоянии. Соединения химически безопасны. Рассмотрена одна из вероятных причин пентакоординации атома Si в них. Установлено, что длина координационной связи O‒Si, входящей в пятичленный гетероцикл, зависит от плоскостного состояния этого цикла. Впервые проанализирована слоистая упаковка молекул в кристаллах (циннамоилоксиметил)трифторсилана ‒ C6H4CH=CHCOOCH2SiF3. One of the probable causes of the pentacoordination of the silicon atom in the compounds (organyl)trifluorosilanes containing the atom in the pentacoordinated state has been established. The length of the O‒Si coordination bond included in a five-membered heterocycle depends on the planar state of this cycle. The layered packing of molecules of (cinnamoyloxymethyl)trifluorosilanes ‒ C6H4CH=CHCOOCH2SiF3 ‒ in its crystals was analyzed.

The crystal structure of new oxide PtLa6(La9Sr3)(Pt0.9Сu0.1)4O42 is a three-dimensional framework, formed by chains of regular octahedra Pt1 and nine-vertex polyhedra La1, extended along coordinate axes. The framework is filled with regular oxygen octahedral, containing Pt2 atoms (Pt0.9Сu0.1) inside, and ten-vertex polyhedra La2 (La,Sr), located along diagonals. The Pt1О6 octahedron shares vertices with only La1 polyhedra, while the other polyhedra share edges and faces. A framework of similar type was established in the LiFeLaO compound, which differs significantly by the composition and structure of chains of FeО6 octahedra and La1 polyhedra. Previously similar chains of polyhedra and octahedra were found in Cu(La,Sr)2O4 and (Cu,Pt)(La,Sr)2O4 chain structures.

The crystal structure of a new compound Ca(4-ClC 6 H 4 SCH 2 COO) 2 ·Н 2 О obtained as a part of the study of biologically active metal protatranes is determined by single crystal X-ray diffraction. The coordination polyhedron of the calcium atom is heptacoordinated; the interatomic distances and atomic packing in the unit cell are analyzed.

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.

Sulfones are known to be biologically active compounds. X-ray diffraction is used to determine the crystal and molecular structure of methyl-(4-chlorophenyl)sulfone. The closest molecules are in pairs oriented to each other by their chlorine atoms. The crystal architecture is formed by endless ribbons of paired associates of the molecules under study.

The crystal and molecular structures of 1-(iodmethyl)silatrane and 1-(iodpropyl)silatrane are determined by X-ray diffraction. The effect of the iodine heteroatom upon silatrane moieties of the molecules through oneand three-carbon chains is studied based on the geometric characteristics of the molecules and the analysis of their packings.

By X-ray diffraction the crystal and molecular structure of iodoprotatrane (tris(2-hydroxyethyl)ammonium iodide I[HN(CH2CH2OH)3]+ (IP) at 120 K and 293 K is determined. The IP cation, as in all protatranes, has the endo conformation. The N-H bond is surrounded by three CH2CH2OH groups. The stability of this configuration is explained by the intramolecular trifurcated inductive interaction with three oxygen atoms through the space of the nitrogen atom. In the IP crystal packing, each iodine anion is linked by three strong OH...I (2.63 Å) and three weak I...H (3.13 Å) hydrogen bonds with six cations from the CH2N group. This indicates a greater nucleophilicity of the iodine atom.

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.

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.

According to the X-ray diffraction data, the crystal and molecular structure of tris (2-hydroxyethyl) ammonium fluoride (F − N + H(CH 2 CH 2 OH) 3 , fluoroprotatrane, substantially differs from other halo protatranes X − N + H(CH 2 CH 2 OH) 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.

The crystal and molecular structure of 4-chloro(benzoyloxymethyl)trifluorosilane 4-ClC 6 H 4 COOCH 2 SiF 3 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.

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.

Reaction of cobalt chloride with 1-(1-silatranylmethyl)-1,2,4-triazole in benzene afforded complex CoCl2·2L (L = 1-(1-silatranylmethyl)-1,2,4-triazole). It was isolated as the solvate [CoCl2·2L]·CH2Cl2 (1) by recrystallization from dichloromethane and structurally characterized by single-crystal X-ray diffraction. It crystallizes in the monoclinic space group P21/m with a = 6.798(2) E, b = 20.326(5) E, c = 11.005(3) E, and Z = 4. The cobalt atom is in slightly distorted square-planar environment, coordinated to two nitrogen atoms from two ligands and two chloride ions.

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.

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.