Search results for "Nitrobenzoic acid"
showing 10 items of 38 documents
On the Rationalization of Formation of Solvates: Experimental and Computational Study of Solid Forms of Several Nitrobenzoic Acid Derivatives
2020
Analysis of crystal structures, molecular properties, interaction strength in solution and computationally generated non-solvated form solid form landscapes of five chloronitrobenzoic acid isomers ...
CCDC 1945329: Experimental Crystal Structure Determination
2020
Related Article: Agris Be̅rziņš, Artis Kons, Kristaps Saršu̅ns, Sergey Belyakov, Andris Actiņš|2020|Cryst.Growth Des.|20|5767|doi:10.1021/acs.cgd.0c00331
CCDC 1945330: Experimental Crystal Structure Determination
2020
Related Article: Agris Be̅rziņš, Artis Kons, Kristaps Saršu̅ns, Sergey Belyakov, Andris Actiņš|2020|Cryst.Growth Des.|20|5767|doi:10.1021/acs.cgd.0c00331
Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid
2019
Here we report charge-transfer cocrystals composed of pyrene and amino/bromopyrene as π-donors (D) and 3,5-dinitrobenzoic acid (A) as a π-acceptor. The 1 : 1 cocrystals of pyrene/1-aminopyrene adopt a ⋯DADADA⋯ mixed stack arrangement whereas the 2 : 1 cocrystal of 1-bromopyrene and 3,5-dinitrobenzoic acid shows ⋯DDADDA⋯ stacking. Crystallographic, spectral and theoretical studies reveal that the frontier molecular orbital energy level rather than the π-donor strength plays the governing role in predicting charge transfer. In addition, a theoretical study demonstrates that the ambipolar semiconductor nature in cocrystals of the pyrene/aminopyrene donor and the p-type nature of bromopyrene wi…
Prediction of Solid Solution Formation among Chemically Similar Molecules Using Calculation of Lattice and Intermolecular Interaction Energy
2020
Several 2-substituted 4-nitrobenzoic acid (NBA) derivatives such as 2-chloro-4-nitrobenzoic acid (2C4NBA), 2-methyl-4-nitrobenzoic acid (2CH34NBA) and 2-hydroxy-4-nitrobenzoic acid (2OH4NBA) were selected as model compounds because of their availability and chemically similar structures, in which the different group/atom (R) does not significantly affect the dominant intermolecular interactions – hydrogen bonds formed by the carboxylic group [1]. Quantum chemical calculations of lattice and intermolecular interaction energy were carried out to identify possible factors, which could be, used in prediction of the formation of solid solutions (SS) in binary systems of chemically similar molecu…
Kinetics of streptolysin O self-assembly.
1995
Streptolysin O is a member of a family of membrane-damaging toxins that bind to cell membranes containing cholesterol and then polymerize to form large pores. We have examined the kinetics of toxin action using 125I-labelled streptolysin O. Binding of toxin monomers to membranes displays first-order kinetics and is reversible; the rate of desorption from red cells shows a marked dependence on temperature. To study oligomerization, toxin was bound to erythrocytes at 0 degrees C. Oligomer formation was then triggered by a sudden temperature shift and stopped by solubilization of membranes with deoxycholate. While at moderately high streptolysin O concentrations oligomerization behaves as a re…
CCDC 1945318: Experimental Crystal Structure Determination
2020
Related Article: Agris Be̅rziņš, Artis Kons, Kristaps Saršu̅ns, Sergey Belyakov, Andris Actiņš|2020|Cryst.Growth Des.|20|5767|doi:10.1021/acs.cgd.0c00331
CCDC 1945336: Experimental Crystal Structure Determination
2020
Related Article: Agris Be̅rziņš, Artis Kons, Kristaps Saršu̅ns, Sergey Belyakov, Andris Actiņš|2020|Cryst.Growth Des.|20|5767|doi:10.1021/acs.cgd.0c00331
CCDC 1945335: Experimental Crystal Structure Determination
2020
Related Article: Agris Be̅rziņš, Artis Kons, Kristaps Saršu̅ns, Sergey Belyakov, Andris Actiņš|2020|Cryst.Growth Des.|20|5767|doi:10.1021/acs.cgd.0c00331
CCDC 1945326: Experimental Crystal Structure Determination
2020
Related Article: Agris Be̅rziņš, Artis Kons, Kristaps Saršu̅ns, Sergey Belyakov, Andris Actiņš|2020|Cryst.Growth Des.|20|5767|doi:10.1021/acs.cgd.0c00331