Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catenapoly[[diaquabis(nicotinamide-kappa N-1)nickel(II)]-mu-fumarato-kappa O-2(1):O-4]

Creative Commons License

Kansiz S., DEGE N., Kalibabchuk V. A.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.74, ss.1263-1270, 2018 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 74
  • Basım Tarihi: 2018
  • Doi Numarası: 10.1107/s2056989018011489
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.1263-1270
  • Anahtar Kelimeler: crystal structure, fumaric acid, nicotinamide, nickel(II), Hirshfeld surfaces, COMPLEXES, NI(II)
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

The reaction of NiCl2 with fumaric acid and nicotinamide in basic solution produces the title polymeric complex, [Ni(C4H2O4)(C6H6N2O)(2)(H2O)(2)](n). The Ni-II cation, located on an inversion centre, is coordinated by two O atoms of the fumarate dianions, two N atoms from nicotinamide ligands and two water molecules in a distorted octahedral fashion. In the crystal, the fumarate dianions bridge the Ni-II cations, forming polymeric chains propagating along the [101] direction; the polymeric chains are further linked by O-H center dot center dot center dot O, N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds, forming a three-dimensional supramolecular architecture. Hirshfeld surface analyses and two-dimensional fingerprint plots were used to analyse the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from H center dot center dot center dot O/O center dot center dot center dot H (35.9%), H center dot center dot center dot H (31.7%) and C center dot center dot center dot C (10.4%) interactions.