Si-Fluoro substituted quasisilatranes (N→Si) FYSi(OCH2CH2)2NR

Understanding the structure of salicyl hydrazone metallocomplexes: crystal structure, AIM and Hirshfeld surface analysis of trichloro-(N-salicylidenebenzoylhydrazinato-N,O,O′)-tin(IV)

“…The value of V e (r) can be calculated from values of ρ(r) and ∇ 2 ρ(r) in CP(3, −1) using Kirzhnitz formula for kinetic energy density and local virial theorem expression [28,29]. Previously, we used the results of topological analysis for calculations of bond energies formed by the Si(Ge) atoms [30][31][32]. Such estimation is based on the usage of above-mentioned correlation (I).…”

N-Aryl-substituted 5-aza-2,8-dioxasilabicyclo[3.3.01.5]octanes: syntheses, molecular structures, DFT calculations and cyclovoltammetric studies

“…Cyclic organosilicon compounds of the type RN(CH 2 CH 2 O) 2 SiXY (R = H, Me, Ph; X, Y = F, Me, Ph, OSiMe 3 ) have been the subject of considerable interest (Mazheika et al , 1968 ;Urtane et al , 1985 ;Corey et al , 1990 ;Selina et al , 2006 ;Korlyukov et al , 2009 ). A special feature of these compounds is the intramolecular N → Si coordination, the strength of which depends on the identity of the substituents R, X and Y.…”

“…The syntheses and the molecular structures of a wide range of compounds with R, X and Y being organic substituents were reported, but as a result of their sensitivity towards hydrolysis only few cyclic silyl ethers of dialkanolamines with reactive X, Y substituents such as H, Cl and Br were characterized by X-ray diffraction analysis. Recently, the molecular structures of some fl uorine-containing so-called quasisilatranes were reported (Korlyukov et al , 2009 ).…”

Molecular and crystal structures of 2-phenyl-2-hydro-6-methyl-1,3-dioxa-6-aza-2-silacyclooctane

“…Note, that the SiÁ Á ÁN distance depends not only on substituents at Si but also at N. Thus, this distance in Ph 2 Si(OCH 2 CH 2 ) 2 NR compounds grows from 2.30 Å for R = H to 3.16 Å for R = CMe 3 . Nevertheless, the shortest transannular bond (1.981 Å) is in silocane with two fluorine substituents [5]. However in FPhSi(OCH 2 CH 2 ) 2 NCH 3 (VII) it is 2.175 Å that is only slightly shorter than in HPhSi(OCH 2 CH 2 ) 2 NCH 3 (2.206 Å).…”

“…As well as tricyclic silatranes, bicyclic silocanes are highly promising biologically active products [1]. Several molecular structures already have been determined by X-ray diffraction: X = Y = Ph, R = H (II) [2], X = Y = Ph, R = Me (III), X = Y = Ph, R = CMe 3 (IV), X = Y = Me, R = Ph (V), X = Y = Ph, R = Ph (VI) [3], X = Y = F, R = H (VII) [4], X = F, Y = Ph, R = Me (VIII) [5], X = F, Y = Me, R = H (IX) [6] major part of the determined silocane structures [II,III,VIII,IX] have a boat-boat (BB) configuration of eight-membered heterocycles Si-(OCC) 2 -N while structures IV and VII have boat-chair configurations of the skeleton. In all these structures the short SiÁ Á ÁN contact (with the exception of IV) is observed which vary within the 1.98-2.30 Å range thus indicating a N ?…”