13 research outputs found
Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects
Crystal structures of 10 spiro-derivatives of 1,3-thiazine
were
determined by X-ray diffraction technique. Molecular conformational
states, packing architecture, and hydrogen bond networks were studied
using graph set notations. Selected compounds were grouped within
two classes with chains and dimer crystal structure organization.
The sublimation thermodynamic aspects of the spiro-derivatives of
1,3-thiazine were investigated via temperature dependence of vapor
pressure using the transpiration method. Thermophysical study of fusion
processes of the molecular crystals was carried out and relationships
between thermodynamic characteristics of sublimation (fusion) processes
and crystal structure parameters were obtained. The influence of various
molecular fragments on packing crystal energy was analyzed
Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects
Crystal structures of 10 spiro-derivatives of 1,3-thiazine
were
determined by X-ray diffraction technique. Molecular conformational
states, packing architecture, and hydrogen bond networks were studied
using graph set notations. Selected compounds were grouped within
two classes with chains and dimer crystal structure organization.
The sublimation thermodynamic aspects of the spiro-derivatives of
1,3-thiazine were investigated via temperature dependence of vapor
pressure using the transpiration method. Thermophysical study of fusion
processes of the molecular crystals was carried out and relationships
between thermodynamic characteristics of sublimation (fusion) processes
and crystal structure parameters were obtained. The influence of various
molecular fragments on packing crystal energy was analyzed
Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects
Crystal structures of 10 spiro-derivatives of 1,3-thiazine
were
determined by X-ray diffraction technique. Molecular conformational
states, packing architecture, and hydrogen bond networks were studied
using graph set notations. Selected compounds were grouped within
two classes with chains and dimer crystal structure organization.
The sublimation thermodynamic aspects of the spiro-derivatives of
1,3-thiazine were investigated via temperature dependence of vapor
pressure using the transpiration method. Thermophysical study of fusion
processes of the molecular crystals was carried out and relationships
between thermodynamic characteristics of sublimation (fusion) processes
and crystal structure parameters were obtained. The influence of various
molecular fragments on packing crystal energy was analyzed
Scarabaeus sp.
Crystal structures of 10 spiro-derivatives of 1,3-thiazine
were
determined by X-ray diffraction technique. Molecular conformational
states, packing architecture, and hydrogen bond networks were studied
using graph set notations. Selected compounds were grouped within
two classes with chains and dimer crystal structure organization.
The sublimation thermodynamic aspects of the spiro-derivatives of
1,3-thiazine were investigated via temperature dependence of vapor
pressure using the transpiration method. Thermophysical study of fusion
processes of the molecular crystals was carried out and relationships
between thermodynamic characteristics of sublimation (fusion) processes
and crystal structure parameters were obtained. The influence of various
molecular fragments on packing crystal energy was analyzed
Thermodynamic Aspects of Solubility and Solvation of Bioactive Bicyclic Derivatives in Organic Solvents
The
solubility of eight biologically active nonaromatic compounds
with a common 3-thia-1-aza-bicyclo fragment in 1-octanol and hexane
was determined in the temperature range of <i>T</i> = 293.15–315.15
K. The solubility of the substances in alcohol is approximately 2
orders of magnitude higher than in alkane and varies within 3.0 Ă—
10<sup>–3</sup> to 2.1 × 10<sup>–1</sup> and 7.1
× 10<sup>–5</sup>to 13.5 × 10<sup>–3</sup> mol. fractions, respectively. In accordance with the structure of
the substituent at the para position of the phenyl ring, the studied
compounds are arranged in the following order of decreasing solubility
in both solvents: methyl- > fluoro- > ethyl- > trifluoromethyl-
>
cyano- > acetyl-. The ideal solubility of the substances in 1-octanol,
calculated from thermophysical parameters was found to correlate with
the reported experimental data. The activity coefficients of the substances
in saturated solutions of organic solvents are determined by the method
of distribution between two liquid phases. The thermodynamic aspects
of the relationship between the processes of dissolution, melting,
sublimation, and solvation of the substances are discussed
Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects
Crystal structures of 10 spiro-derivatives of 1,3-thiazine
were
determined by X-ray diffraction technique. Molecular conformational
states, packing architecture, and hydrogen bond networks were studied
using graph set notations. Selected compounds were grouped within
two classes with chains and dimer crystal structure organization.
The sublimation thermodynamic aspects of the spiro-derivatives of
1,3-thiazine were investigated via temperature dependence of vapor
pressure using the transpiration method. Thermophysical study of fusion
processes of the molecular crystals was carried out and relationships
between thermodynamic characteristics of sublimation (fusion) processes
and crystal structure parameters were obtained. The influence of various
molecular fragments on packing crystal energy was analyzed
Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects
Crystal structures of 10 spiro-derivatives of 1,3-thiazine
were
determined by X-ray diffraction technique. Molecular conformational
states, packing architecture, and hydrogen bond networks were studied
using graph set notations. Selected compounds were grouped within
two classes with chains and dimer crystal structure organization.
The sublimation thermodynamic aspects of the spiro-derivatives of
1,3-thiazine were investigated via temperature dependence of vapor
pressure using the transpiration method. Thermophysical study of fusion
processes of the molecular crystals was carried out and relationships
between thermodynamic characteristics of sublimation (fusion) processes
and crystal structure parameters were obtained. The influence of various
molecular fragments on packing crystal energy was analyzed
Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects
Crystal structures of 10 spiro-derivatives of 1,3-thiazine
were
determined by X-ray diffraction technique. Molecular conformational
states, packing architecture, and hydrogen bond networks were studied
using graph set notations. Selected compounds were grouped within
two classes with chains and dimer crystal structure organization.
The sublimation thermodynamic aspects of the spiro-derivatives of
1,3-thiazine were investigated via temperature dependence of vapor
pressure using the transpiration method. Thermophysical study of fusion
processes of the molecular crystals was carried out and relationships
between thermodynamic characteristics of sublimation (fusion) processes
and crystal structure parameters were obtained. The influence of various
molecular fragments on packing crystal energy was analyzed
Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects
Crystal structures of 10 spiro-derivatives of 1,3-thiazine
were
determined by X-ray diffraction technique. Molecular conformational
states, packing architecture, and hydrogen bond networks were studied
using graph set notations. Selected compounds were grouped within
two classes with chains and dimer crystal structure organization.
The sublimation thermodynamic aspects of the spiro-derivatives of
1,3-thiazine were investigated via temperature dependence of vapor
pressure using the transpiration method. Thermophysical study of fusion
processes of the molecular crystals was carried out and relationships
between thermodynamic characteristics of sublimation (fusion) processes
and crystal structure parameters were obtained. The influence of various
molecular fragments on packing crystal energy was analyzed