A1 Journal article (refereed)
Crystal structure and Hirshfeld surface analysis of a new polymorph of chloridobis(1,10-phenanthroline-κ2N,N′)copper(II) perchlorate (2025)


Plutenko, M. O., Vynohradov, O. S., Haukka, M., Golenya, I. A., & Gaidai, S. V. (2025). Crystal structure and Hirshfeld surface analysis of a new polymorph of chloridobis(1,10-phenanthroline-κ2N,N′)copper(II) perchlorate. Acta Crystallographica Section E : Crystallographic Communications, 81. https://doi.org/10.1107/s2056989025000209


JYU authors or editors


Publication details

All authors or editorsPlutenko, Maksym O.; Vynohradov, Oleksandr S.; Haukka, Matti; Golenya, Irina A.; Gaidai, Snizhana V.

Journal or seriesActa Crystallographica Section E : Crystallographic Communications

eISSN2056-9890

Publication year2025

Publication date14/01/2025

Volume81

PublisherInternational Union of Crystallography

Publication countryUnited States

Publication languageEnglish

DOIhttps://doi.org/10.1107/s2056989025000209

Publication open accessOpenly available

Publication channel open accessOpen Access channel

Publication is parallel published (JYX)https://jyx.jyu.fi/handle/123456789/99563


Abstract

The title salt (systematic name: 2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium chloride), [CuCl(C12H8N2)2](ClO4), is comprised of a mononuclear complex cation [Cu(phen)2Cl]+ (phen is 1,10-phenanthroline) and a perchlorate anion, ClO4−, both with point group symmetry 2. The CuII atom has a slightly distorted trigonal–bipyramidal coordination environment, defined by a N4Cl coordination set with the Cl atom and two N atoms at the equatorial sites. In the crystal, each phen ring is parallel to neighboring phen rings. The resulting significant π–π stacking inter¬actions lead to zigzag chains extending parallel to [001]. Hirshfeld surface analysis suggests that the most important contributions to the surface contacts are from H⋯H (32.1%), H⋯C/C⋯H (18.2%), H⋯O/O⋯H (14.6%), H⋯Cl/Cl⋯H (12.7%) and C⋯C (10.6%) inter¬actions.


Keywordscoordination complexeschlorine compoundssaltscoppercrystallography

Free keywords copper; copper(II) complex; crystal structure; 1,10-phenanthroline; Hirshfeld surface analysis


Contributing organizations


Ministry reportingYes

VIRTA submission year2025

Preliminary JUFO rating1


Last updated on 2025-25-01 at 20:26