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Article
Crystal structure of a polymeric calcium levulinate dihydrate: Catena-poly[[diaquacalcium]-bis(μ2-4-oxobutanoato)]
Chemistry & Physics Faculty Publications
  • Ananda S. Amarasekara, Prairie View A & M University
  • Dominique T. Sterling-Wells, Prairie View A & M University
  • Carlos Ordonez, New Mexico Highlands University
  • Marie Josiane Ohoueu, New Mexico Highlands University
  • Marina S. Fonari, Academy of Sciences of Moldova
  • G. Smith, Queensland University of Technology
Document Type
Article
Publication Date
5-1-2015
Abstract

In the title calcium levulinate complex, [Ca(C5H7O3)2(H2O)2]n, the Ca2+ ion lies on a twofold rotation axis and is octacoordinated by two aqua ligands and six O atoms from four symmetry-related carboxylate ligands, giving a distorted square-antiprismatic coordination stereochemistry [Ca - O bond-length range = 2.355 (1)-2.599 (1) Å]. The levulinate ligands act both in a bidentate carboxyl O,O′-chelate mode and in a bridging mode through one carboxyl O atom with an inversion-related Ca2+ atom, giving a Ca⋯Ca separation of 4.0326 (7) Å. A coordination polymeric chain structure is generated, extending along the c-axial direction. The coordinating water molecules act as double donors and participate in intra-chain O - H⋯O hydrogen bonds with carboxyl O atoms, and in inter-chain O - H⋯O hydrogen bonds with carbonyl O atoms, thus forming an overall three-dimensional structure.

Citation Information
Ananda S. Amarasekara, Dominique T. Sterling-Wells, Carlos Ordonez, Marie Josiane Ohoueu, et al.. "Crystal structure of a polymeric calcium levulinate dihydrate: Catena-poly[[diaquacalcium]-bis(μ2-4-oxobutanoato)]" (2015)
Available at: http://works.bepress.com/httpswwwpvamuedubcasdepartmentschemistryfaculty-and-staffasamarasekara/34/