Crystal structure of (S)-1-O-tert-butyldiphenylsilylglycerol: eight chiral molecules in a triclinic cell

Doboszewski, Bogdan; Nazarenko, Alexander Y.; Nemykin, Victor N.; Silva, Maria Joselice e

doi:10.1107/s2056989018012021

Cited by 1 publication

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“…So-called high-Z 0 structures (Z 0 ! 4) containing Z 0symmetry-independent copies of a single molecule are rare and still puzzle crystallographers, especially since many of them display pseudo-symmetries (Brock, 2016;Desiraju, 2007;Steed, 2003;Steed & Steed, 2015;Doboszewski et al, 2018;Ganadu et al, 2018;Brock & Taylor, 2020). This is also the case for the title compound.…”

Section: Introductionmentioning

confidence: 99%

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

Rekis

Schaller

Kotla

et al. 2021

Int Union Crystallogr J

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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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Section: Introductionmentioning

confidence: 99%

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

Rekis

Schaller

Kotla

et al. 2021

Int Union Crystallogr J

View full text Add to dashboard Cite

show abstract

Crystal structure of (S)-1-O-tert-butyldiphenylsilylglycerol: eight chiral molecules in a triclinic cell

Abstract: In the triclinic crystal form, the molecules are linked by hydrogen bonds into an infinite assembly propagating along the a axis; hydrophobic tert-butyl and phenyl groups form an external coating of the assembly.

Cited by 1 publication

References 15 publications

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

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

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Crystal structure of (S)-1-O-tert-butyldiphenylsilylglycerol: eight chiral molecules in a triclinic cell

Abstract: In the triclinic crystal form, the mol­ecules are linked by hydrogen bonds into an infinite assembly propagating along the a axis; hydro­phobic tert-butyl and phenyl groups form an external coating of the assembly.

Cited by 1 publication

References 15 publications

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

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

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Abstract: In the triclinic crystal form, the molecules are linked by hydrogen bonds into an infinite assembly propagating along the a axis; hydrophobic tert-butyl and phenyl groups form an external coating of the assembly.