trans-Bis[4-amino-N-(pyrimidin-2-yl)benzene­sulfonamidato]dipyridine­cobalt(II) hemihydrate

Yan-Fei Wang; Hong-Li Zou; Xu-Jian Luo; Zhen-Feng Chen; Hong Liang

doi:10.1107/S1600536810013802

. 2010 Apr 21;66(Pt 5):m548. doi: 10.1107/S1600536810013802

trans-Bis[4-amino-N-(pyrimidin-2-yl)benzenesulfonamidato]dipyridinecobalt(II) hemihydrate

Yan-Fei Wang ^a, Hong-Li Zou ^b, Xu-Jian Luo ^a, Zhen-Feng Chen ^b,^*, Hong Liang ^b

PMCID: PMC2979022 PMID: 21579035

Abstract

The asymmeric unit of the title compound, [Co(C₁₀H₉N₄O₂S)₂(C₅H₅N)₂]·0.5H₂O, contains the distorted octahedral trans-[Co(sdz)₂(py)₂] (sdz is the sulfadiazine anion and py is pyridine) complex molecule and a half-molecule of water, which lies on a twofold rotation axis. A three-dimensional network is generated by N—H⋯O and O—H⋯O hydrogen bonds between the complex and the water molecules.

Related literature

For mono ligand sulfadiazine–metal complexes, see: Yuan et al. (2001 ▶); Wang et al. (2005 ▶). For mixed ligand sulfadiazine–metal complexes, see: Ajibade et al. (2006 ▶); Brown et al. (1987 ▶); Hossain et al. (2006 ▶); Wang et al. (2009 ▶).

Experimental

Crystal data

[Co(C₁₀H₉N₄O₂S)₂(C₅H₅N)₂]·0.5H₂O
M _r = 724.68
Monoclinic,
a = 39.618 (4) Å
b = 11.2407 (9) Å
c = 14.5673 (13) Å
β = 104.648 (2)°
V = 6276.4 (10) Å³
Z = 8
Mo Kα radiation
μ = 0.74 mm⁻¹
T = 193 K
0.44 × 0.15 × 0.12 mm

Data collection

Rigaku Mercury diffractometer
Absorption correction: multi-scan (REQAB; Jacobson, 1998 ▶) T _min = 0.738, T _max = 0.917
34520 measured reflections
7188 independent reflections
6038 reflections with I > 2σ(I)
R _int = 0.051

Refinement

R[F ² > 2σ(F ²)] = 0.055
wR(F ²) = 0.103
S = 1.18
7188 reflections
434 parameters
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.36 e Å⁻³
Δρ_min = −0.52 e Å⁻³

Data collection: CrystalClear (Rigaku, 1999 ▶); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku/MSC & Rigaku, 2000 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810013802/pk2239sup1.cif

e-66-0m548-sup1.cif^{(30.8KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810013802/pk2239Isup2.hkl

e-66-0m548-Isup2.hkl^{(351.8KB, hkl)}

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Table 1. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N4—H4A⋯O1ⁱ	0.88	2.44	3.266 (3)	157
N4—H4B⋯O2ⁱⁱ	0.88	2.30	3.108 (4)	152
N8—H8A⋯O3ⁱⁱⁱ	0.88	2.54	3.084 (3)	120
N8—H8B⋯O5^iv	0.88	2.26	3.114 (4)	162
O5—H5⋯O4^v	0.89 (4)	1.91 (4)	2.785 (3)	169 (4)

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Symmetry codes: (i) Inline graphic ; (ii) ; (iii) ; (iv) ; (v) .

Acknowledgments

The authors thank the Natural Science Foundation of Guangxi Province of China (No. 0991003) and the Open Foundation of the Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources (Ministry of Education of China) for financial support.

supplementary crystallographic information

Comment

The title compound consists of [Co(C₁₁H₁₁N₄O₄S₂] and half a lattice water molecule and is isostructural with trans-[Ni(sdz)₂(py)₂] (where sdz = sulfadiazine anion and py = pyridine)(Wang et al., 2009), the title cobalt(II) complex has six-coordinate distorted octahedral geometry and contains two bidentate N-coordinated sulfadiazinate anion and two pyridine molecules occupying the trans sites. One water molecule lies on a 2-fold rotation axis. The coordination mode of sulfadiazine is similar to its cobalt(II) complex (Ajibade et al., 2006) and copper(II) complex (Brown et al., 1987), but different from Zn(sdz)₂ (Yuan et al., 2001), polymeric Cd(II) complex (Wang et al. 2005), and its copper complex (Hossain et al. 2006). The Co—N bond distances involving the sulfonamide atoms N3, N7, the pyrimido atoms N1, N5, and the pyridine atoms N9, N10, are very similar, at 2.132 (2), 2.091 (2), 2.124 (2), 2.168 (2), 2.196 (2), 2.193 (2) Å, respectively. The tetrahedral coordination at S is distorted, as is also found in the neutral sulfadiazine molecule. A three dimensional network is generated by N—H···O and O—H···O hydrogen bonds involving the complex and water molecules.

Experimental

0.1 mmol Co(CH₃COO)₂.3H₂O, 0.2 mmol sulfadiazine, ethanol (2.2 ml), water (0.2 ml) and pyridine (0.2 ml) were placed in a Pyrex tube (ca 25 cm). The tube was frozen with liquid N₂, evacuated under vacuum, sealed with a torch and heated at 353 K for three days to give red-brown block-shaped crystals, with a yield of 70%.