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

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

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 × 10^–3 to 2.1 × 10^–1 and 7.1 × 10^–5to 13.5 × 10^–3 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