issue contents
June 2023 issue
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Cover illustration: The cross-conjugated dye 5H,11H-dipyrrolo[1,2-b:1′,2′-g][2,6]naphthyridine-5,11-dione has interesting electrochemical and photophysical properties and has become a potential candidate in singlet fission for enhancing the performance of photo-voltaic device, two-photon absorption materials and photodynamic therapy agents. In order to explore the luminescence properties of such molecules in the near infrared region, the strategy of expanding the DPND conjugated system by introducing a pendant pyridine unit was adapted and 6,6′-diheptyl-3,3′-bis[(pyridin-3-yl)ethynyl]-5H,5′H-dipyrrolo[1,2-b:1′,2′-g][2,6]naphthyridine-5,5′-dione, DPND-3Py, was synthesized. The complete molecule is generated by a crystallographic centre of symmetry. The pendant heptyl chains adopt extended conformations and the dihedral angle between the pyrrole and pyridine rings is 8.18 (15)°. In the crystal, the molecules are arranged in columnar stacks propagating in the [010] direction via slipped aromatic π–π stacking interactions. See: Xiang, Gao, Ma, Cai & Zhang [IUCrData (2023). 8, x230513].
inorganic compounds
Ba(BF4)2(H2O)3, orthorhombic, space group C2221 at 300 K, becomes monoclinic at 280 K, space group P21. The spread of Ba—F distances is significantly larger in the LT modification, and one of the water molecules in the LT form exhibits positional disorder.
metal-organic compounds
The title dinuclear CuII complex, the two CuII molecules both have a five-coordinate square-pyramidal geometry, but the molecules in the axial positions are different: a water molecule and a nitrate ion. All nitrate ions, water molecules, and N—H groups are involved in an intermolecular hydrogen-bond network.
organic compounds
The complete molecule of the title compound is generated by a crystallographic centre of symmetry. The pendant heptyl chains adopt extended conformations and the dihedral angle between the pyrrole and pyridine rings is 8.18 (15)°·In the crystal, the molecules are arranged in columnar stacks propagating in the [010] direction via slipped aromatic π–π stacking interactions.
The hydrated title compound is zwitterionic with the amine group of the methionyl moiety protonated and the carboxyl group of tyrosine deprotonated.
The crystal structure of the title compound contains the host molecule and acetic acid in 1:1 ratio without undergoing salt formation.