Crystal structure of bis­[(1-ammonio-1-phosphono­eth­yl)phospho­nato]tetra­aqua­cadmium dihydrate: a powder X-ray diffraction study

Acta Crystallographica Section E: Crystallographic Communications

Rukiah, M.¹  Assaad, T.² 

[1] Department of Chemistry, Atomic Energy Commission of Syria (AECS), PO Box 6091, Damascus, Syrian Arab Republic;Radioisotope Department, Atomic Energy Commission of Syria (AECS), PO Box 6091, Damascus, Syrian Arab Republic

关键词: CRYSTAL STRUCTURE;    BISPHOSPHONATE COMPLEXES;    COMPLEXES;    CADMIUM;    POWDER DIFFRACTION;    OCTAHEDRAL COORDINATION;    ZWITTERION;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015004028

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound, [CdL2(H2O)4]·2H2O [L = (1-ammonio-1-phosphono­eth­yl)phospho­nate, C2H8NO6P2−], the CdII ion is situated on an inversion centre being coordinated by four aqua mol­ecules in the equatorial plane and two phosphonate O atoms from two deprotonated L ligands in the axial positions in a distorted octa­hedral geometry. The asymmetric unit contains one-half of the complex mol­ecule and one lattice water mol­ecule. The ligand L exists in a zwitterionic form, with a positive charge on the NH3 group and a negative charge on the O atom of the non-coordinating phospho­nate group, and with an intra­molecular O—H⋯O inter­action forming an S(6) ring motif and two intra­molecular N—H⋯O inter­actions each generating an S(5) ring motif. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds link the complex mol­ecules into a three-dimensional network in which the voids of 38 Å3 are filled with ordered lattice water mol­ecules, which are also involved in O—H⋯O hydrogen bonding.

【 授权许可】

CC BY