Benzoyl Valine Quasiracemates: Pairing CF3 Quasienantiomers with H to t-Butyl DOI Creative Commons

Ashah M. Gould,

Danielle Schalk,

Molly E. Fleagle

и другие.

Crystal Growth & Design, Год журнала: 2024, Номер 24(9), С. 3967 - 3976

Опубликована: Апрель 15, 2024

Understanding the interplay of structural features responsible for molecular assembly is essential crystal engineering. When assembling molecules with encoded motifs, first choice supramolecular strategies almost always include robust directional nonbonded contacts. Quasiracemic materials, considered near racemates since cocrystallization occurs chemically unique components, lack a framework or functional group restrictions, highlighting importance shape to assembly. Recently, our reported quasiracemates derived from benzoyl leucine/phenylalanine derivatives two points chemical difference. In this study, we modified valine and increased scope work by imposing larger variance in side chain substituents. Pairing CF3 component quasienantiomers that differ iteratively hydrogen t-butyl offers an important view into landscape these materials. Single-crystal X-ray crystallography lattice energy assessments, coupled conformational structure similarity searches, show elevated degree isomorphism many targeted 17 quasiracemates. These amino acid architectures create extended hydrogen-bond patterns provide enhanced opportunities study space recognition profiles diverse family quasienantiomeric components.

Язык: Английский

Legacy and Future Impact of the Cambridge Structural Database: A Tribute to Dr. Olga Kennard DOI Creative Commons

Christer B. Aakeröy,

Delia A. Haynes, Suzanna C. Ward

и другие.

Crystal Growth & Design, Год журнала: 2025, Номер unknown

Опубликована: Янв. 29, 2025

Язык: Английский

Процитировано

0
Benzoyl Valine Quasiracemates: Pairing CF3 Quasienantiomers with H to t-Butyl DOI Creative Commons

Ashah M. Gould,

Danielle Schalk,

Molly E. Fleagle

и другие.

Crystal Growth & Design, Год журнала: 2024, Номер 24(9), С. 3967 - 3976

Опубликована: Апрель 15, 2024

Understanding the interplay of structural features responsible for molecular assembly is essential crystal engineering. When assembling molecules with encoded motifs, first choice supramolecular strategies almost always include robust directional nonbonded contacts. Quasiracemic materials, considered near racemates since cocrystallization occurs chemically unique components, lack a framework or functional group restrictions, highlighting importance shape to assembly. Recently, our reported quasiracemates derived from benzoyl leucine/phenylalanine derivatives two points chemical difference. In this study, we modified valine and increased scope work by imposing larger variance in side chain substituents. Pairing CF3 component quasienantiomers that differ iteratively hydrogen t-butyl offers an important view into landscape these materials. Single-crystal X-ray crystallography lattice energy assessments, coupled conformational structure similarity searches, show elevated degree isomorphism many targeted 17 quasiracemates. These amino acid architectures create extended hydrogen-bond patterns provide enhanced opportunities study space recognition profiles diverse family quasienantiomeric components.

Язык: Английский

Процитировано

0