Crystal Structure of 4′-Phenyl-1′,4′-Dihydro-2,2′:6′,2″-Terpyridine: An Intermediate from the Synthesis of Phenylterpyridine

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Dades bibliogràfiques
Publicat a:	Crystals vol. 15, no. 7 (2025), p. 619-629
Autor principal:	Sedykh Alexander
Altres autors:	Zhernakov Maksim, Becker Mariia, Kurth, Dirk G, Müller-Buschbaum, Klaus
Publicat:	MDPI AG
Matèries:	Crystal structure X ray powder diffraction Software Oxidation Single crystals Unit cell X-ray diffraction Esters Ammonia Triclinic crystals Diffraction patterns Synthesis Biological activity Ethanol Nitrogen
Accés en línia:	Citation/Abstract Full Text + Graphics Full Text - PDF
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Descripció
Resum:	The intermediate compound 4′-phenyl-1′,4′-dihydro-2,2′:6′,2″-terpyridine (pdhtpy) was isolated for the first time during the synthesis of 4′-phenyl-2,2′:6′,2″-terpyridine (ptpy) and characterised by single-crystal X-ray diffraction. Pdhtpy crystallises in the triclinic crystal system with space group P<inline-formula>1–</inline-formula> with the following unit cell parameters at 100 K: a = 6.1325(4) Å; b = 8.2667(5) Å; c = 16.052(2) Å; α = 86.829(2)°; β = 82.507(2)°; γ = 84.603(2)°; V = 802.49(9) Å3. The absence of stabilising electron-withdrawing groups renders pdhtpy prone to oxidative conditions. Pdhtpy was obtained as a mixture with ptpy, confirmed by Rietveld refinement of the powder X-ray diffraction pattern. Notably, pdhtpy is the first solid-state 1,4-dihydropyridine lacking electron-withdrawing groups at both positions 3 and 5, distinguishing it from Hantzsch esters and related compounds.
ISSN:	2073-4352
DOI:	10.3390/cryst15070619
Font:	Materials Science Database