Tetraaquabis(N-phenylsulfonyl-L-leucinato)cadmium(II) dihydrate

Pei-Guo Guan

doi:10.1107/s1600536809000683

Abstract

In the title compound, [Cd(C12H16NO4S)2(H2O)]·2H2O, the Cd atom is located on a twofold rotation axis and a distorted CdO8 dodecahedral arrangement arises from the coordination of the two chelating ligands and four water molecules. A network of N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds help to establish the crystal packing. Both coordinated and uncoordinated water molecules are disordered with an approximate half-occupation for each of the water molecules.

Highlights

In the title compound, [Cd(C12H16NO4S)2(H2O)]Á2H2O, the Cd atom is located on a twofold rotation axis and a distorted CdO8 dodecahedral arrangement arises from the coordination of the two chelating ligands and four water molecules
A network of N—HÁ Á ÁO, O—HÁ Á ÁO and C—HÁ Á ÁO hydrogen bonds help to establish the crystal packing. Both coordinated and uncoordinated water molecules are disordered with an approximate half-occupation for each of the water molecules
Symmetry codes: (ii) x, y, z+1; (iii) x, y, z−1; (iv) −x+1, −y+1, z−1; (v) x+1/2, −y+3/2, −z+1; (vi) x+1/2, −y+3/2, −z+2

Summary

Structure Reports Online

Key indicators: single-crystal X-ray study; T = 298 K; mean (C–C) = 0.018 A; disorder in main residue; R factor = 0.068; wR factor = 0.214; data-to-parameter ratio = 14.7. In the title compound, [Cd(C12H16NO4S)2(H2O)]Á2H2O, the Cd atom is located on a twofold rotation axis and a distorted CdO8 dodecahedral arrangement arises from the coordination of the two chelating ligands and four water molecules. A network of N—HÁ Á ÁO, O—HÁ Á ÁO and C—HÁ Á ÁO hydrogen bonds help to establish the crystal packing. Both coordinated and uncoordinated water molecules are disordered with an approximate half-occupation for each of the water molecules. Crystal data [Cd(C12H16NO4S)2(H2O)]Á2H2O Mr = 725.10 Orthorhombic, P21212 a = 17.733 (2) Ab = 17.2930 (19) Ac = 5.6051 (11) A

Data collection

DÁ Á ÁA

Special details