Crystal and molecular structure of the product from the reaction of zinc halide with Novocaine

Institute of Chemical Physics Branch, Academy of Sciences of the USSR. Translated from Zhurnal Strukturnoi Khimii, Vol. 31, No. 5, pp. 144–147, September–October, 1990.     

Crystal and molecular structure of the 2,4,6-tris(trifluoromethylsulfonyl)phenyl spirocyclic derivative of N,N′-dimethylaminotroponeimine

Institute of Crystallography, Academy of Sciences of the USSR. Scientific Research Institute of Physical and Organic Chemistry, Rostov State University. Translated from Zhurnal Strukturnoi Khimii, Vol. 30, No. 3, pp. 178–183, May–June, 1989.     

Crystal and molecular structure of N,N,N′,N′-tetra(2-nitrilethyl) ethane-1,2-diamine and N-(2-nitrilethyl)benzylamine hydrobromide

N,N,N′,N′-tetra(2-nitrilethyl) ethane-1,2-diamine and N-(2-nitrilethyl)benzylamine hydrobromide were prepared by the addition reaction of acrylonitrile with corresponding amines, and the two structures were determined by X-ray single crystal diffraction. The two compounds crystallize in monoclinic system, and almost no classical hydrogen bond exists in the two crystal structures.     

Crystal and molecular structure of N,N'-bis (diisopropoxyphosphoryl)-1, 10-diaza-18-crown-6

The macrocycle in the centrosymmetric molecule of N,N-bis (diisopropoxyphosphoryl)-1,10-diaza-18-crown-6 has an unusual conformation with six heteroatoms located in a single plane and the C-N-C corners bent out from the ring, which is stabilized by two intracyclic C-H...O hydrogen bonds.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 12, pp. 2851–2853, December, 1989.     

Recurring competitive reactions: desorption of methane and molecular hydrogen from Cu(001)

Methane and molecular hydrogen desorption from a methyl and hydrogen exposed Cu(001) surface is investigated. Both gaseous products are observed nearly simultaneously within two temperature regimes separated by more than 100 K. The lower temperature desorption, at ～325 K, is believed to result from two processes which compete for adsorbed atomic hydrogen: methyl reduction and associative hydrogen desorption. The higher-temperature competitive desorption is initiated after the onset of thermal decomposition of remaining methyl species, at ～420 K. Kinetic simulations of the two presumed competing reactions are used to show observable and comparable methane and hydrogen evolution can occur in two temperature regimes, only with a precise balance of kinetic parameters, but fail to accurately reproduce the observed small differences in CH(4) and H(2) peak desorption temperatures. It is concluded that either the utilized desorption kinetics are inaccurate at low H((a)) coverages or rapid desorption, or the same reactions are not competitive at higher temperatures and an alternative active mechanism for product evolution must exist.     

An electron diffraction determination of the molecular structure of BIS(trifluoromethyl) diselenide

The molecular structure of F₃CSeSeCF₃ has been determined in the vapour phase by the sector microphotometer method of electron diffraction. The data are consistent with a C₂ model having the dimensions: C-F 1.326±0.005, C-Se 2.018±0.020, Se-Se 2.292±0.010 Å, angle F-C-Se 109.1±0.8°, angle C-Se-Se 98.0±0.5°, C-Se-Se-C dihedral angle 84.5±3.0°, and an angle of twist of 11.8±1.0° of both F₃C- groups from the conformation in which they are staggered with respect to the Se-Se bond.     

An electron diffraction study of the molecular structure of BIS(trifluoromethyl) monoselenide

The molecular structure of (F₃C)₂Se has been determined in the vapour phase by the sector microphotometer method of electron diffraction. Two structures, differing essentially in the angles of rotation of the CF₃- groups about the C-Se bonds, are in good agreement with the data. The mean C-Se and C-F bond lengths are 1.978 and 1.333 Å, respectively.     

The crystal and molecular structure of BIS(1,3-diphenylpropane-1,3-dionato)-Di-n-butyltin(IV)

The crystal and molecular structure of bis(1,3-diphenylpropane-1,3-dianoto)di-n-butyltin(IV) has been determined from three-dimensional X-ray data by the heavy-atom method. The space group is P2₁/n. Unit cell constants are a 1117.56(30), b 857.87(16), c 1758.36(51) pm, and β 99.398(20)°. The observed density of the yellow crystals (m.p. 92–94°C) is 1.38 g ml⁻³ and requires two molecules per unit cell. The molecule has a center of symmetry. Refinement converged to give final discrepancy indices, R = 0.0481, R_w = 0.0607; and goodness-of-fit (GOF) was 3.216 for 1688 observed reflections. The molecular skeleton about tin is a slightly distorted octahedron with bond distances: SnC, 212 pm; and SnO, 219 and 220 pm. The O(1)SnO(2) bond angle is 83.8°, and CSnO bond angles are very nearly 90°. The structural parameters are compared with those of other organotin complexes of similar stoichometry.     

Correlated v(H(2) ) and j(CO) product states from formaldehyde photodissociation: dynamics of molecular elimination

A detailed study of the photoinduced molecular elimination pathway of formaldehyde on the ground state surface was carried out using high-resolution dc slice ion imaging. Detailed correlated H(2) rovibrational and CO rotational product quantum state distributions were measured by imaging spectroscopically selected CO velocity distributions following photodissociation at energies from approximately 1800 to approximately 4100 cm(-1) above the barrier to molecular elimination. Excitation to the 2(1)4(1), 2(1)4(3), 2(2)4(1), 2(2)4(3), and 2(3)4(1) bands of H(2)CO are reported here. The dependence of the product rovibrational distributions on excitation energy are discussed in light of a dynamical model which has been formulated to describe the strong product state correlations observed.     

Crystal structure of copper(II) complex with N,N-bis(2-benzimidazolylmethyl)benzylamine

The copper(II) complex with N,N-bis(2-benzimidazolylmethyl)benzylamine has been synthesized and its crystal structure was determined by X-ray diffraction methods.