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The dibasic and monobasic calcium salts of o-tolidine-6,6'-disulfonic acid, tetraaqua(4,4'-diamino-5,5'-dimethyl-1,1'-biphenyl-2,2'-disulfonato-O:O') calcium, [Ca(C14H14N2O6S2)(H2O)4]n, (I), and hexaaqua(4-amino-4'-ammonio-5,5'-dimethyl-1,1'-biphenyl-2,2'-disulfonato-O) calcium 4-amino-4'-ammonio-5,5'-dimethyl-1,1'-biphenyl-2,2'-disulfonate hexahydrate, [Ca(C14H15N2O6S2)(H2O)6](C14H15N2O6S2).6H2O, (II), have structures built upon layers of anions, with the calcium cations and water molecules between these layers. The calcium ions are seven-coordinate. The coordination sphere in compound (I) contains three sulfonate O atoms and four water molecules, while that in (II) contains one sulfonate O atom and six water molecules. Both structures are held together by a network of hydrogen bonds involving the amine, sulfonate and water groups. The biphenyl rings in the anions are approximately 75° out of parallel and the ortho-sulfonate groups are in an anti conformation.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks I, global, II

sft

Structure factor file (SHELXL table format)
Supplementary material

sft

Structure factor file (SHELXL table format)
Supplementary material

CCDC references: 127061; 127062

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