“Predicting” Polymorphs of Pharmaceuticals Using Hydrogen Bond Propensities: Probenecid and Its Two Single-Crystal-to-Single-Crystal Phase Transitions

2015 ◽  
Vol 104 (6) ◽  
pp. 2056-2061 ◽  
Author(s):  
Elisa Nauha ◽  
Joel Bernstein
Keyword(s):  
Hydrogen Bond ◽  
Phase Transitions ◽  
Single Crystal ◽  
Crystal Phase

scholarly journals Guest-Dependent Single-Crystal-to-Single-Crystal Phase Transitions in a Two-Dimensional Uranyl-Based Metal–Organic Framework

2018 ◽  
Vol 19 (1) ◽  
pp. 506-512 ◽  
Author(s):  
Sylvia L. Hanna ◽  
Xuan Zhang ◽  
Ken-ichi Otake ◽  
Riki J. Drout ◽  
Peng Li ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Single Crystal ◽  
Metal Organic Framework ◽  
Crystal Phase ◽  
Two Dimensional ◽  
Metal Organic ◽  
Organic Framework

scholarly journals Reversible, Two-Step Single-Crystal to Single-Crystal Phase Transitions between Desloratadine Forms I, II, and III

2020 ◽  
Vol 20 (3) ◽  
pp. 1800-1810 ◽  
Author(s):  
Vijay K. Srirambhatla ◽  
Rui Guo ◽  
Daniel M. Dawson ◽  
Sarah L. Price ◽  
Alastair J. Florence
Keyword(s):  
Phase Transitions ◽  
Single Crystal ◽  
Crystal Phase

scholarly journals Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate

IUCrJ ◽  
2021 ◽  
Vol 8 (1) ◽  
pp. 139-147
Author(s):  
Toms Rekis ◽  
Achim M. Schaller ◽  
Surya Rohith Kotla ◽  
Andreas Schönleber ◽  
Leila Noohinejad ◽  
...  
Keyword(s):  
Phase Transition ◽  
Phase Transitions ◽  
Single Crystal ◽  
Room Temperature ◽  
Crystal Phase ◽  
Component Ratio ◽  
Sudden Increase ◽  
Sodium Cations ◽  
Triclinic Phase ◽  
General Organization

This work reports reversible, single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate [Na(sac)(15/8)H2O]. The phases were studied in the temperature range 298 to 20 K. They exhibit complex disordered states. An unusual reentrant disorder has been discovered upon cooling through a phase transition at 120 K. The disordered region involves three sodium cations, four water molecules and one saccharinate anion. At room temperature, the structure is an eightfold superstructure that can be described by the superspace group C2/c(0σ20)s0 with q = (0, 3/4, 0). It demonstrates maximum disorder with the disordered chemical entities having slightly different but close to 0.50:0.50 disorder component ratios. Upon cooling, the crystal tends to an ordered state, smoothly reaching a unified disorder component ratio of around 0.90:0.10 for each of the entities. Between 130 and 120 K a phase transition occurs involving a sudden increase of the disorder towards the disorder component ratio 0.65:0.35. Meanwhile, the space group and general organization of the structure are retained. Between 60 and 40 K there is another phase transition leading to a twinned triclinic phase. After heating the crystal back to room temperature its structure is the same as before cooling, indicating a complete reversibility of the phase transitions.

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