Crystal structure and thermal characterisation of a theophyllinato Cu(II) complex with benzylamine

Research output: Contribution to journalArticle

6 Citations (Scopus)


Diaquabis(benzylamine)bis(theophyllinato)copper(II) (1) was prepared and characterised by FTIR spectroscopy and thermogravimetry. Its molecular structure was determined by single crystal X-ray diffraction. 1 crystallises in triclinic crystal system, space group P1 (No. 2), a = 8.108(1) Å, b = 9.597(2) Å, c = 11.216(2) Å, a = 82.36(1)°, β = 71.19(1)°, γ = 68.42(1)°. Z = 2, ρ = 1.453 Mg m-3, μ = 0.770 mm-1, R = 0.0546. The copper ion is located at an inversion centre and surrounded by two theophyllinate anions (bound via N7), two benzylamines (bound via N) and two water molecules in an octahedral trans arrangement. The complex molecules are connected forming a chain by hydrogen bonds of the water molecules (to N9 and O6 atoms of neighbouring theophyllinato moieties). No chelation of O6 of the theophyllinate anions to Cu2+ occurs. The thermal loss of water molecules at 120 °C results in a structural transformation as indicated by powder XRD. On further heating first the benzylamine molecules are lost, then the theophyllinato moieties are degraded. The final residue is CuO in air at 500 °C.

Original languageEnglish
Pages (from-to)317-321
Number of pages5
JournalZeitschrift fur Kristallographie
Issue number5
Publication statusPublished - Jan 1 2000

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Inorganic Chemistry

Fingerprint Dive into the research topics of 'Crystal structure and thermal characterisation of a theophyllinato Cu(II) complex with benzylamine'. Together they form a unique fingerprint.

  • Cite this