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November 2020 issue
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A novel polymorph of (E)-4-bromo-2-[(phenylimino)methyl]phenol is reported, with a dihedral angle between the planes of the two aromatic rings of 45.6 (1)°, significantly different to that of the previously published polymorph. The structure contains an intramolecular O—H⋯N hydrogen bond forming an S(6) ring.
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A novel complex has been prepared using the (E)-4-nitro-N-(pyridin-2-ylmethylidene)aniline bidentate Schiff base ligand and PtCl2. The neutral molecules form a one-dimensional chain structure through C—H⋯Cl and C—H⋯O hydrogen bonds. DPPH and ABTS inhibition studies revealed that the compound is proficient in donating electrons or H atoms and subsequently terminating chain reactions in a dose-dependent manner.
CCDC reference: 1544210
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The single-crystal structures of three salts of bedaquiline, a drug used for the treatment of drug-resistant tuberculosis (TB), are described.
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Two new CdII MOFs based on 1,4-bis(1H-benzimidazol-1-yl)butane and pimelate/sebacate (Pim/Seb) mixed ligands have been synthesized under hydrothermal conditions. Structure analysis reveals that the Pim MOF is a 2D sql layer structure containing a (H2O)8 water cluster. The Seb MOF shows an 8-connected hex supramolecular structure based on the hxl layer. Luminescence sensing studies reveal that both MOFs have good selectivity and sensitivity for the detection of the Fe3+ cation in water.
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This work reports the precise crystal structure parameters of monoclinic hafnia (HfO2) and its validation from first-principles calculations. Complementary synchrotron X-ray and neutron diffraction experiments were performed and it was observed that the high-resolution neutron diffraction data significantly improves the precision of the constituent O-atom positions in bulk HfO2 relative to that obtained from earlier X-ray diffraction studies.
CCDC reference: 2039450