title: Crystal structure of a polymeric calcium levulinate dihydrate: catena-poly[[di-aqua-calcium]-bis-(μ2-4-oxo-butano-ato)].
abstract: In the title calcium levulinate complex, [Ca(C5H7O3)2(H2O)2] n , the Ca(2+) ion lies on a twofold rotation axis and is octa-coordinated by two aqua ligands and six O atoms from four symmetry-related carboxyl-ate ligands, giving a distorted square-anti-prismatic 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 Ca(2+) 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 mol-ecules 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.
authors.affiliation: Department of Chemistry, Prairie View A&M University, Prairie View, TX 77446, USA.
authors.forename: Ananda S
authors.initials: AS
authors.lastname: Amarasekara
authors.affiliation: Department of Chemistry, Prairie View A&M University, Prairie View, TX 77446, USA.
authors.forename: Dominique T
authors.initials: DT
authors.lastname: Sterling-Wells
authors.affiliation: Department of Natural Sciences, New Mexico Highlands University, Las Vegas, NM 87701, USA.
authors.forename: Carlos
authors.initials: C
authors.lastname: Ordonez
authors.affiliation: Department of Natural Sciences, New Mexico Highlands University, Las Vegas, NM 87701, USA.
authors.forename: Marie-Josiane
authors.initials: MJ
authors.lastname: Ohoueu
authors.affiliation: Institute of Applied Physics, Academy of Sciences of Moldova, Academy Str. 5, MD2028, Chisinau, Republic of Moldova.
authors.forename: Marina S
authors.initials: MS
authors.lastname: Fonari
keywords: calcium levulinate dihydrate; coordination polymer; crystal structure; hydrogen bonding; levulinic acid