Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-kappa N)bis(4-sulfamoylbenzoato-kappa O-1)copper(II)

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Hokelek T., Yavuz V., DAL H., NECEFOĞLU H.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.74, ss.45-55, 2018 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 74
  • Basım Tarihi: 2018
  • Doi Numarası: 10.1107/s2056989017017765
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.45-55
  • Anahtar Kelimeler: crystal structure, copper(II), transition metal complexes of benzoic acid and nicotinamide derivatives, INTERMOLECULAR INTERACTIONS, QUANTITATIVE-ANALYSIS, MOLECULAR-STRUCTURE, COMPLEXES, ACID
  • Anadolu Üniversitesi Adresli: Hayır

Özet

In the crystal of the title complex, [Cu(C7H6NO4S)(2)(C6H6N2O)(2)(H2O)], the Cu-II cation and the O atom of the coordinated water molecule reside on a twofold rotation axis. The Cu-II ion is coordinated by two carboxylate O atoms of the two symmetry-related 4-sulfamoylbenzoate (SB) anions and by two N atoms of the two symmetry-related nicotinamide (NA) molecules at distances of 1.978 (2) and 2.025 (3) angstrom, respectively, forming a slightly distorted square-planar arrangement. The distorted square-pyramidal coordination environment is completed by the water O atom in the axial position at a distance of 2.147 (4) angstrom. In the crystal, the molecules are linked via O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds with R-2(2)(8) and R-2(2) (18) ring motifs, forming a three-dimensional architecture. The Hirshfeld surface analysis of the crystal structure indicates 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 (42.2%), H center dot center dot center dot H (25.7%) and H center dot center dot center dot C/C center dot center dot center dot H (20.0%) interactions.