Butylammonium sulfadiazinate monohydrate

Key indicators: single-crystal X-ray study; T = 150 K; mean (C-C) = 0.006 Å; disorder in main residue; R factor = 0.045; wR factor = 0.102; data-to-parameter ratio = 14.9.The complete molecule of the title compound, [Cd(C 10 H 9 N 4 O 2 S) 2 (C 2 H 6 OS) 2 ], is completed by the application of a twofold rotation axis. The Cd II atom is six coordinated by two bidentate sulfadiazinate anions and two dimethylsulfoxide molecules. The resulting N 4 O 2 donor set displays a distorted trigonal-prismatic coordination geometry. The S atom and methyl groups of dimethylsulfoxide are disordered over two sets of sites, with site occupancies of 0.715 (4) and 0.285 (4). The crystal structure features intermolecular N-HÁ Á ÁN and N-HÁ Á ÁO hydrogen bonds that lead to the formation of layers in the ab plane. Related literature ExperimentalCrystal data [Cd(C 10

Section: S1 Commentsupporting

confidence: 76%

“…For related structures, see: Heren et al (2006); Hossain & Amoroso (2007). For background to hydrogen bonds formed by sulfadiazinate anions, see : Paşaog lu et al (2008).…”

Section: Related Literaturementioning

confidence: 99%

cis-Bis[4-amino-N-(pyrimidin-2-yl)benzenesulfonamido-κ²N,N′]bis(dimethyl sulfoxide-κO)cadmium

Hossain

2011

“…The bond angles around the S atom correspond to a distorted tetrahedral geometry. The bond distance C-N (Terminal amino group) of 1.369 (4) and 1.375 (4)Å and the torsion angle C-S-N-C of 66.2 (3)° and -54.7 (3)° are comparable to those observed in the related structures (Heren et al, 2006;Hossain & Amoroso, 2007;Hossain, 2011).…”

supporting

confidence: 68%

Bis[4-amino-N-(pyrimidin-2-yl)benzenesulfonamidato]-κ²N,N′;κN-aquabis(dimethylformamide-κO)cadmium(II) monohydrate

Hossain

2011

In the title compound, [Cd(C10H9N4O2S)2(C3H7NO)2(H2O)]·H2O, the CdII ion displays a grossly distorted octahedral (or irregular) mer-CdN3O3 coodination polyhdron arising from its coordination by one N,N′-bidentate sulfadiazinate anion, one monodentate sulfadiazinate anion, two O-bonded dimethylformamide molecules and one water molecule. A short Cd⋯N contact [2.890 (3) Å] to the monodentate sulfadiazinate ion also occurs. The dihedral angles between the planes of the aromatic rings of the anions are 86.81 (14) and 68.65 (14)°. The crystal structure features intermolecular N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds.

“…For the comparison of the N-H bond distance of the terminal amine group and the C-S-N-C torsion angle, see: Heren et al (2006); Hossain & Amoroso (2007); Hossain (2011). For the hydrogen bonds of sulfadiazinate anions, see: Paşaog lu et al (2008).…”

Section: Related Literaturementioning

confidence: 99%

Bis[4-amino-N-(pyrimidin-2-yl-κN)benzenesulfonamidato-κN](4,4′-dimethyl-2,2′-bipyridine-κ²N,N′)cadmium dimethylformamide disolvate

Amoroso¹

2012

In the title compound, [Cd(C10H9N4O2S)2(C12H12N2)]·2C3H7NO, the CdII ion lies on a twofold rotation axis, is six-coordinated by N atoms, and displays a trigonal–prismatic geometry arising from the two sulfadiazinate ligands and one 4,4′-dimethyl-2,2′-bipyridine ligand. Both ligands are bidentate and coordinate via their N atoms. The O and carbonyl C atoms of the dimethylformamide molecule show disorder and were modelled with two different orientations and with site occupancies of 0.584 (10):0.416 (10). The geometry around the sulfadiazine S atom is distorted tetrahedral. The crystal structure involves N—H⋯O hydrogen bonds which link molecules into a three-dimensional network. Weak C—H⋯O hydrogen bonds are also observed.