On September 2, 2020, Berzins, Agris; Kons, Artis; Sarsuns, Kristaps; Belyakov, Sergey; Actins, Andris published an article.Synthetic Route of 99-60-5 The title of the article was On the Rationalization of Formation of Solvates: Experimental and Computational Study of Solid Forms of Several Nitrobenzoic Acid Derivatives. And the article contained the following:
Anal. of crystal structures, mol. properties, interaction strength in solution, and computationally generated nonsolvated form crystal structure landscapes of 5 chloronitrobenzoic acid isomers and 2 addnl. 2-substituted 4-nitrobenzoic acids were used to rationalize the obtained solvate landscape of these compounds Screening of the solid forms was performed for each of the compounds, and crystal structures of the obtained nonsolvated forms and selected solvates were determined Mol. conformation, intermol. interactions, and packing efficiency of nonsolvated forms and solvates were analyzed to understand factors contributing to structure stabilization and determining the formation of the observed crystal structures. Computationally generated crystal structure landscapes of nonsolvated forms were tested for the possibility to predict the propensity to form solvates and identify polymorphic compounds Most of the solvates were obtained with solvents acting as strong H bond acceptors and/or able to form aromatic interactions. Solute-solvent association Gibbs energy representing interaction strength is the most apparent identifiable factor explaining the solvate formation of the studied compounds, and using this tool, the existence of 3 new multicomponent phases was successfully predicted. Solid form screening and crystal structure anal. of 7 nitrobenzoic acid derivatives showed that these compounds form solvates with solvents acting as strong H bond acceptors and/or able to form aromatic interactions. Solute-solvent association Gibbs energy representing interaction strength is the most apparent identifiable factor explaining the solvate formation of the studied compounds The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Synthetic Route of 99-60-5
The Article related to nitro benzoate derivative structure intermol interaction strength stabilization gibbs, Phase Equilibriums, Chemical Equilibriums, and Solutions: Phase Equilibriums, Solubility and other aspects.Synthetic Route of 99-60-5
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Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics