The crystal structure of the first ether solvate of hexaphenyldistannane [(Ph₃Sn)₂• 2 THF]

Abstract

Structural investigations of molecular crystal solvates can provide important information for the targeted crystallization of particular inclusion compounds. Here, the crystal structure of the first ether solvate of hexaphenyldistannane [(Ph3Sn)2 • 2 THF] is reported. Structural features in terms of host-guest interactions and in the context of the previously reported polymorphs and solvates of (Ph3Sn)2 are discussed.

Functional Group Variation in tert‐Butyldiphenylsilanes (TBDPS): Syntheses, Reactivities, and Effects on the Intermolecular Interaction Pattern in the Molecular Crystalline State

“…Even though the contribution of O⋅⋅⋅H/H⋅⋅⋅O contacts in compound 4 only amounts to 2.4 %, they should not be neglected in their important directional role for the crystal packing due to their electrostatic nature [18] . The important role of this type of weak hydrogen bonds [25] has also recently been strengthened by the crystallographic analysis of the first ether solvate of hexaphenyldistannane [8b] . The shortest C−H⋅⋅⋅O contact is formed by the C3−H3 bond (H3⋅⋅⋅O 2.714 Å, C3⋅⋅⋅O 3.363 Å, C3−H3⋅⋅⋅O 126.01°) with H⋅⋅⋅O and C⋅⋅⋅O distances close to the sum of the van der Waals radii (Figure 3, left) [21,22] .…”

Low and High Z′ Polymorphs of Dibenzyldiphenylsilane: A Hydrocarbon-Patterned Molecular Crystalline System

“…In our group, we are in general interested in questions about the interplay of hydrogen bonds, halogen bonds, and dispersion interactions in molecular crystals in order to better understand certain functional patterns with regard to their intermolecular interaction behavior. − In this context, we were caught by the interesting question of whether one specific polymorph can be reproducibly obtained through optimization of the crystallization process, even if the molecular crystal structures are held together exclusively by weak intermolecular interactions.…”

Isomorphic Channel-Type Pseudopolymorphs of Azathioprine: From Structural Confirmations to a Rational Polymorph Screening Approach

“…By definition, according to ICH Q6A, the term polymorphism means that “some new drug substances exist in different crystalline forms which differ in their physical properties. Polymorphism may also include solvation or hydration products (also known as pseudopolymorphs) and amorphous “forms”. , This can be explained by the fact that, in the solid state, molecules can arrange in more than one crystal packing, giving polymorphs (or polymorphism occurrence) or can crystallize while incorporating different amounts of solvent molecules into the crystal lattice and forming stoichiometric or nonstoichiometric solvates or pseudopolymorphs (phenomenon known as solvatomorphism). , Thus, while polymorphism refers to the crystal systems that are characterized by different unit-cells but the substance’s structure (itself) has the same elemental composition, solvatomorphism denotes systems where the crystal structure is formed by unit-cells that differ in their elemental composition and include one or several molecules of solvent in the crystalline lattice . By entrapping aqueous or organic solvents within the crystal lattice of an active pharmaceutical ingredient (denoted as host compound), one can obtain molecular complexes most known in the field of crystal engineering as pseudopolymorphs. , …”

“…1,9 Thus, while polymorphism refers to the crystal systems that are characterized by different unit-cells but the substance's structure (itself) has the same elemental composition, solvatomorphism denotes systems where the crystal structure is formed by unit-cells that differ in their elemental composition and include one or several molecules of solvent in the crystalline lattice. 9 By entrapping aqueous or organic solvents within the crystal lattice of an active pharmaceutical ingredient (denoted as host compound), one can obtain molecular complexes most known in the field of crystal engineering as pseudopolymorphs. 7,10 By taking another step further, alongside polymorphism, isostructurality is another phenomenon that has always been intriguing for scientists in the field of crystallography, and while polymorphism is defined by different crystalline arrangements of a substance having the same chemical composition, isostructurality stands out when observing a similarity in the spatial arrangements of the molecules in the crystal lattice of various compounds.…”