The solid state of a novel hydrate form of 3,3′-diaminophenyl sulfone (3APS_0.5H2Oo) as well as its temperature-induced phase transitions is reported. On increasing the temperature, first a partial dehydration occurs, leading to the partially hydrated 3APS_0.1H2Oo, which then transforms into the monoclinic anhydrous form, 3APS_Am. Finally, by recrystallization of the melt 3APS_Am, a second anhydrous orthorhombic phase is obtained (3APS_Ao). This last phase transforms in 3APS_Am at a temperature between 360 and 400 K. XRD, DSC, TGA, HSM, and in silico data have been used to better understand the dehydration mechanism. With the same aim, hydration/dehydration tests have been carried out. Finally, the dehydration behavior of 3APS_0.5H2O has been discussed in comparison with that of the dapsone hydrated phase 4APS_0.33H2Om.

Molecular-Level Investigation of Hydrate–Anhydrous Phase Transformations of the Dapsone Structurally Related Compound 3,3′-Diaminophenyl Sulfone / Paola Paoli, Martina Lippi, Stella Milazzo, Patrizia Rossi, Jacopo Ceccarelli, Laura Chelazzi, Andrea Ienco, Luca Conti. - In: CRYSTAL GROWTH & DESIGN. - ISSN 1528-7505. - ELETTRONICO. - (2022), pp. 7176-7186. [10.1021/acs.cgd.2c00849]

Molecular-Level Investigation of Hydrate–Anhydrous Phase Transformations of the Dapsone Structurally Related Compound 3,3′-Diaminophenyl Sulfone

Paola Paoli;Martina Lippi;Stella Milazzo;Patrizia Rossi
;
Jacopo Ceccarelli;Laura Chelazzi;Andrea Ienco;Luca Conti
2022

Abstract

The solid state of a novel hydrate form of 3,3′-diaminophenyl sulfone (3APS_0.5H2Oo) as well as its temperature-induced phase transitions is reported. On increasing the temperature, first a partial dehydration occurs, leading to the partially hydrated 3APS_0.1H2Oo, which then transforms into the monoclinic anhydrous form, 3APS_Am. Finally, by recrystallization of the melt 3APS_Am, a second anhydrous orthorhombic phase is obtained (3APS_Ao). This last phase transforms in 3APS_Am at a temperature between 360 and 400 K. XRD, DSC, TGA, HSM, and in silico data have been used to better understand the dehydration mechanism. With the same aim, hydration/dehydration tests have been carried out. Finally, the dehydration behavior of 3APS_0.5H2O has been discussed in comparison with that of the dapsone hydrated phase 4APS_0.33H2Om.
2022
7176
7186
Paola Paoli, Martina Lippi, Stella Milazzo, Patrizia Rossi, Jacopo Ceccarelli, Laura Chelazzi, Andrea Ienco, Luca Conti
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Utilizza questo identificatore per citare o creare un link a questa risorsa: https://hdl.handle.net/2158/1296022
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