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pubs.rsc.org

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.

pubs.acs.org

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

Structural basis for the unexpected activity of rifamycin B against rifampicin-resistant RNA polymerase

Rifamycins inhibit bacterial transcription by targeting RNA polymerase (RNAP), but their clinical effectiveness is limited by the rapid emergence of resistance caused by mutations within the rifamycin...

biorxiv.org

Four polymorphic structures of a symmetric azo dye

The synthesis and structural characterisation of a symmetric azo dye, ethyl azocinnamate, via single crystal X-ray diffraction led to the discovery of four polymorphic forms. The crystals and their st...

pubs.rsc.org

mdpi.com

Red-Shifted Circularly Polarised Luminescence from Helically Chiral N,N,O,O-Boron Chelated Dipyrromethenes through Synthetically Facile meso-CF3 Modification

In the search for red-shifted small molecule emitters of circularly polarised light, a helically chiral N,N,O,O-boron chelated dipyrromethene (BODIPY)…

sciencedirect.com

The zinc bound form of the actinomycete derived natural product compound JBIR-141 induces a mitotic phenotype in fission yeast - Scientific Reports

Scientific Reports - The zinc bound form of the actinomycete derived natural product compound JBIR-141 induces a mitotic phenotype in fission yeast

doi.org

Weak hy­dro­gen bonding in the structures of three double-acyl­ated amino­anti­pyrines

The structures of three doubly-acyl­ated 4-amino­anti­pyrine com­pounds where the aryl substituent is varied are reported and analysed in terms of their relative conformation, inter­molecular inter­actions and overall packing. The com­pounds were crystallized using the encapsulated nanodroplet crystallization (ENaCt) protocol.

journals.iucr.org

Weak hy­dro­gen bonding in the structures of three double-acyl­ated amino­anti­pyrines

The structures of three doubly-acyl­ated 4-amino­anti­pyrine com­pounds where the aryl substituent is varied are reported and analysed in terms of their relative conformation, inter­molecular inter­ac...

journals.iucr.org

Research Assistant/Associate in National Crystallography Service

Research Assistant/Associate in National Crystallography Service

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