Pro-Atropisomeric Ynamides as Starting Materials for the Synthesis of C–N Atropisomers by Dynamic Kinetic Resolution Reactions

Abstract. Tertiary N-sulfonyl anilides in which the aromatic ring bears a bulky ortho-substituent typically display robust atropisomerism as a result of sl

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Close Enough: Approximate Symmetry in Recent Crystal Structures with Extreme Z′ (Z′ ≥ 12)

To further highlight the link between approximate symmetry and homomolecular structures that crystallize with large numbers of molecules in the asymmetric unit (Z′ ≥ 12), the most recent structures of this type have been analyzed, and the approximate symmetry identified. In most cases, when approximate symmetry is considered, a smaller approximate unit cell can be described, where the effective Z′ is lower than that of the original unit cell. For one example, defining an approximate cell was not appropriate, and the approximate symmetry in the structure was hence described using approximate layer and rod groups. Generally, it appears that though the molecules in the asymmetric units of these structures may not be related by crystallographic symmetry, symmetrical relationships appear to be retained as much as possible in cases where the packing is awkward and precise symmetry is not possible. Revealing the link between extreme-Z′ structures and theoretical structures with lower Z′ is of potential use to the field of crystal structure prediction with regard to the prediction of structures where Z′ > 1.

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Improved Aromatic Finkelstein Reactions for the Synthesis of Iodinated BODIPYs | ChemRxiv

Iodinated 4,4-difluoro-4-bora-3a,4a-diaza-s-indacenes (BODIPYs) are valuable synthetic intermediates for the formation of functionalised fluorophores, as they enable downstream nucleophilic aromatic s...

chemrxiv.org

RODIN X-ray Diffraction Data 2497477

The zip file contains X-ray diffraction images for 2-amino-4'-chlorobenzophenone collected for a crystal exhibiting incommensurate modulation. This dataset is part of the Resource of Diffraction Image...

zenodo.org

Journal of Chemical Theory and Computation

We present the automated code engine (ACE), which automatically generates optimized integral codes on graphics processing units. The ACE driver (white building) parses the requested integral and choos...

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The Synthesis and Biological Activity of Series of New Polyfunctional Pyrroles with the Potential to Modulate Neuronal Viability - Cell Biochemistry and Biophysics

The polyfunctional pyrrole 3,5-dichloro-1H-pyrrole-2,4-dicarbaldehyde (2) was reacted with malononitrile and Meldrum’s acid in a regioselective manner to yield derivatives (4, 5, 6, 8, 9, and 10). Com...

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Structural modification of functionalized carbazoles: from Z′ = 1 to Z′ = 6

The crystal structure of a 2,3,9,9a-tetra­hydro-1H-carbazole in the space group Ia is reported, showing Z′ = 6 and approximate Fdd2 symmetry, and compared to the low Z′ crystal structures of two close...

journals.iucr.org

A mechanochemical route to organosodium - Nature Synthesis

A simple mechanochemical setup enables the rapid, solvent-free preparation of organosodium compounds directly from sodium lumps without the need for strictly inert conditions, rendering these previous...

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Tandem Reactivity of Metal−Carbon and Carbon−Silicon Bonds in Mononuclear α‐Silyl Organolithium or Organosodium Complexes Towards CO, CO2 and Heteroallenes

Anionic α-silyl alkyl is one of the most used organometallic building blocks and funtional groups. Traditionally, the C─Si bond in these complexes is considered as inert. In this work, we report a se....

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