In the title compound, C19H25Cl2NOSi, the NH group and the carbonyl O atom of the amide fragment are involved in an inter-molecular N-H⋯O hydrogen bond forming chains of mol-ecules. The plane of the benzene ring forms a dihedral angle of 50.5 (2)° with respect to the silolane ring and an angle of 49.74 (2)° with the cyclo-pentyl moiety.

The bond energy (BE) of CC in CH3-CH3 with respect to geometry frozen fragments follows a sigmoidal increase as function the θ = HCC pyramidalization angle. Using dynamic orbital forces BE index, same behaviour unique 〈θ〉 parameter, mean angle substituents, is found for 24 single bonds various hydrocarbons. Thus parameter appears straightforward and robust index geometrical constraints which ca...

Abstraet Wettabillty of southern pine veneers was judged by measuring the contact angles made by 36 phenol formaldehyde resins. Formulation of the resins was by factorial design. the molar ratios of sodium hydroxide to phenol being 0.4, 0.7, and 1.0, the levels of resin solids content in the reaction mixture 37, 40, and 43 percent, and the molar ratios of formaldehyde to phenol 1.6, 1.9, 2.2, a...

In this work, the effect of rock bolt angle on the shear behavior of Rock Bridges is investigated using the particle flow code in two dimensions (PFC2D) for three different Rock Bridge lengths. Firstly, the calibration of PF2D is performed to reproduce the gypsum sample. Then the numerical models with the dimensions of 100 mm * 100 mm are prepared. The Rock Bridge is created in the middle of th...

In the title mol-ecule, C22H18O, the o-tolyl ring is connected through a conjugated double bond. The mol-ecule adopts an E conformation and the C-C=C-C torsion angle is 178.77 (13)°. The overall conformation may be described by the values of dihedral angles between the different planes. The terminal rings are twisted by an angle of 54.75 (8)°, while the biphenyl part is not planar, the dihedral...

Extensive computer experiments have been conducted in order to shed light on the macroscopic shear flow behavior of liquid n-hexadecane fluid under isobaric-isothermal conditions through the nonequilibrium molecular dynamic methodology. With respect to shear rates, the accompanying variations in structural properties of the fluid span the microscopic range of understanding from the intrinsic to...

The specific-heat difference between the O:H van der Waals bond and the H-O polar-covalent bond and the Coulomb repulsion between electron pairs on adjacent oxygen atoms determine the angle-length-stiffness relaxation dynamics of the hydrogen bond (O:H-O), which is responsible for the density and phonon-stiffness oscillation of water ice over the full temperature range. Cooling shortens and sti...

The effect of the mechanical deformation of metal-organic frameworks on guest diffusion was investigated by employing molecular dynamics simulations. Two basic deformation modes, uniaxial tensile and shear deformation, were considered. The computed shear modulus of the zeolitic imidazolate framework-8 (ZIF-8) model system was much lower than the Young's modulus, which is in agreement with the e...

The geometry of the R2(2)(8) graph set formed between a 2-aminoheterocyclic ring containing an Nsp2 atom (in the 1-position of the ring) and a carboxylic acid has been studied. Collating data from known co-crystal structures containing five- and six-membered heterocyclic rings from the Cambridge Structural Database revealed unexpected differences between two kinds of non-hydrogen contact distan...