Please use this identifier to cite or link to this item:
|Title:||Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid|
|Citation:||Aitipamula, S., Chow, P.S., Tan, R.B.H. (2011-02-07). Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid. CrystEngComm 13 (3) : 1037-1045. ScholarBank@NUS Repository. https://doi.org/10.1039/c0ce00361a|
|Abstract:||A previously unknown monohydrate and five solvates of an anti-HIV agent, 2-chloro-4-nitrobenzoic acid (CNBA), were discovered and characterized by various analytical techniques such as powder X-ray diffraction, single-crystal X-ray diffraction, differential scanning calorimetry, and thermogravimetric analysis. The solvates were readily obtained from the solvents 1,4-dioxane, dimethylsulfoxide, acetophenone, p-xylene and mesitylene. In the crystal structures of three of the solvates (1,4-dioxane, p-xylene and mesitylene solvates) the CNBA molecules form an acid-acid dimer motif and such motifs are stabilized via π⋯π stacking interactions. Slurry experiments confirmed the thermodynamic stability of Form I at room temperature. The results of desolvation experiments and a comparison of the crystal structures of the hydrate/solvates and the pure polymorphs indicate that the desolvation product does not necessarily contain a similar crystal structure to the solvate. Grinding experiments with catalytic amounts of various solvents suggest that Form II converts to Form I in most cases and both forms convert to the hydrate upon grinding with water. Grinding with 1,4-dioxane and mesitylene results in solvates and they transform to the more stable Form I upon extended grinding of 60 min. © 2011 The Royal Society of Chemistry.|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Jun 16, 2018
WEB OF SCIENCETM
checked on May 30, 2018
checked on Jun 8, 2018
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.