Molecular tectonics: Self-assembly of pyridyl bearing nucleobases

Crystal structure, Hirshfeld surface analysis, intermolecular interaction energies, energy frameworks and DFT calculations of 4-amino-1-(prop-2-yn-1-yl)pyrimidin-2(1H)-one

“…The energy band gap of (I). Doi et al, 2005), 2 0 -deoxy-�-d-ribo-pentofuranosyl (NAGLIQ; Hossain et al, 1996), 4-pyridyl (KUDPEH; Tufenkjian et al, 2020), CH CHCH 2 NHC(O)Ph (PEHYEI; Cetina et al, 2012) and n-pentyl (YINGAF; Barcelo ´-Oliver et al, 2013). In all of these structures, the first two atoms of the substituent are rotated by nearly 90 � from being coplanar with the pyrimidine ring, in contrast to what is observed for (I).…”

Construction of hydrogen bonding and coordination networks based on ethynylpyridine-appended nucleobases

“…7 Nucleobases functionalized by terpyridine, 2,2'bipyridine or carboxylic acids have hence been described. Recently, our group has reported a series of nucleobases appended with a 4-pyridyl unit, 8 with a methylene spacer providing flexibility. We were interested in investigating the impact of a more rigid spacer such as an ethynyl bridge.…”

Peripheral nucleic bases boost H2production by synthetic molecular catalysts in acidic water

“…The pyridine-linked nucleic bases ( L1–L3 ) and the precursor Co(dimethylglyoxime) 2 Cl 2 were generated following the reported procedure. 25 Next, complexes C1–C3 were synthesized by dropwise addition of one equivalent of appropriate ligand ( L1–L3 ) to a green methanolic solution of Co(dmg) 2 Cl 2 under inert atmosphere (Scheme S1, ESI†). C1–C3 appeared as brown precipitate during the reaction, which were purified via cold methanol washings, prior to their structural characterization and catalytic screening (Table S1, ESI†).…”