9 research outputs found
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
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
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
Salicylamide Cocrystals: Screening, Crystal Structure, Sublimation Thermodynamics, Dissolution, and Solid-State DFT Calculations
A new
cocrystal of 2-hydroxybenzamide (A) with 4-acetamidobenzoic
acid (B) has been obtained by the DSC screening method. Thermophysical
analysis of the aggregate [A:B] has been conducted and a fusion diagram
has been plotted. Cocrystal formation from melts was studied by using
thermomicroscopy. A cocrystal single-crystal was grown and its crystal
structure was determined. The pattern of noncovalent interactions
has been quantified using the solid-state DFT computations coupled
with the Bader analysis of the periodic electron density. The sublimation
processes of A-B cocrystal have been studied and its thermodynamic
functions have been calculated. The classical method of substance
transfer by inert gas-carrier was chosen to investigate sublimation
processes experimentally. The lattice energy is found to be 143 ±
4 kJ/mol. It is lower than the sum of the corresponding values of
the cocrystal pure components. The theoretical value of the lattice
energy, 156 kJ/mol, is in reasonable agreement with the experimental
one. A ternary phase diagram of solubility (A-B–ethanol) has
been plotted and the areas with solutions for growing thermodynamically
stable cocrystals have been determined