Tetra­aqua­bis(pyridine-κN)cobalt(II) bis­[4-amino-N-(6-chloro­pyridazin-3-yl)benzene­sulfonamidate]

Li, N.; Zou, H.-L.; Song, X.-Y.; Liu, Y.-C.; Chen, Z.-F.

doi:10.1107/S1600536809049599

Tetraaquabis(pyridine-κN)cobalt(II) bis[4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamidate]

N. Li, H.-L. Zou, X.-Y. Song, Y.-C. Liu and Z.-F. Chen

The structure of the title compound, [Co(C₅H₅N)₂(H₂O)₄](C₁₀H₈ClN₄O₂S)₂, consists of a discrete tetraaquabis(pyridine-κN)cobalt(II) cation and two 4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamidate anions. In the cation, the Co^II ion sits on an inversion centre and is octahedrally coordinated by two pyridine N atoms and four O atoms. A two-dimensional network parallel to (010) is formed via intermolecular O—H

O, O—H

N, N—H

N and N—H

O hydrogen bonds.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536809049599/pk2211sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536809049599/pk2211Isup2.hkl Contains datablock I

CCDC reference: 758740

checkCIF report

Key indicators

Single-crystal X-ray study
T = 193 K
Mean (C-C) = 0.005 Å
R factor = 0.054
wR factor = 0.108
Data-to-parameter ratio = 16.4

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          6
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2B    ..  O4      ..       2.62 Ang.
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          4

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          1

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Comment top

Sulfachloropyridazine [4-amino-N-(6-chloro-3-pyridazinyl)-benzensulfonamide], is a synthetic sulfanilamide antibacterial drug whose crystal structure is known (Tan et al. 2005). However, as far as we are aware, no crystal structure of a metal complex containing sulfachloropyridazine has been published, although the electrochemistry of its copper(I) complex has been described by Fogg et al. (1995). The compound consists of a [Co(H₂O)₄(py)₂]²⁺ cation and two sulfacholoropyridazine anions. Similar to tetraaquabis(pyridine-κN)cobalt(II) diacetate (Clegg et al., 2006), the coordination geometry for the Co^II cation (Fig. 1) is close to an ideal octahedron (N1—Co1—N1^#1 180.000 (1)°, O1—Co1—O2 92.37 (9)°, O1—Co1—O2^#1 87.63 (9)°, #1: -x + 2,-y + 1,-z + 1), with the O atoms of the coordinated water molecules occupying the equatorial positions and with the axial sites occupied by coordinated pyridine ligands. The sulfachloropyridazine is depronated at sulfamide N2 to generate anions, whose geometric parameters are comparable to sulfachloropyridazine (Tan et al., 2005). A two-dimensional network is formed via intermolecular hydrogen bonds of type O—H···O, O—H···N and N—H···O (Table 1).

Related literature top

For the structure of sulfachloropyridazine, see: Tan et al. (2005). For a sulfachloropyridazine–metal complex, see: Fogg et al. (1995). For an aquapyridin–cobalt(II) complex, see: Clegg et al. (2006).

Experimental top

Samples of sulfachloropyridazine (0.2 mmol) and Co(Ac)₂.4H₂O (0.1 mmol) were placed in a thick-walled Pyrex tube (ca 20 cm long). After addition of ethanol (2.2 ml), H₂O (0.2 ml) and pyridine (0.1 ml), the tube was frozen with liquid nitrogen, evacuated under vacuum and sealed with a torch. The tube was heated at 80°C for 3 days and then was slowly cooled down to room temperature, and orange-yellow block-shaped crystals were obtained. Yield: 80%.

Computing details top

Data collection: CrystalClear (Rigaku, 1999); cell refinement: CrystalClear (Rigaku, 1999); data reduction: CrystalStructure (Rigaku/MSC and 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 (Sheldrick, 2008).

Figures top

	Fig. 1. The molecular structure showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level.
	Fig. 2. A packing diagram of title compound, viewing down the [100] direction. Hydrogen bonds are shown as dashed lines.

Tetraaquabis(pyridine-κN)cobalt(II) bis[4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamidate] top

Crystal data top

[Co(C₅H₅N)₂(H₂O)₄](C₁₀H₈ClN₄O₂S)₂	F(000) = 882
M_r = 856.62	D_x = 1.536 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71070 Å
Hall symbol: -P 2ybc	Cell parameters from 6394 reflections
a = 8.5897 (12) Å	θ = 3.1–27.5°
b = 25.807 (3) Å	µ = 0.78 mm⁻¹
c = 8.5338 (12) Å	T = 193 K
β = 101.694 (3)°	Block, orange-yellow
V = 1852.5 (4) Å³	0.21 × 0.15 × 0.12 mm
Z = 2

Data collection top

Rigaku Mercury CCD diffractometer	4226 independent reflections
Radiation source: fine-focus sealed tube	3331 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.050
Detector resolution: 7.31 pixels mm^-1	θ_max = 27.5°, θ_min = 3.2°
ω scans	h = −11→9
Absorption correction: multi-scan (REQAB; Jacobson, 1998)	k = −32→33
T_min = 0.853, T_max = 0.912	l = −10→11
20359 measured reflections

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.054	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.108	H atoms treated by a mixture of independent and constrained refinement
S = 1.14	w = 1/[σ²(F_o²) + (0.0291P)² + 1.7941P] where P = (F_o² + 2F_c²)/3
4226 reflections	(Δ/σ)_max < 0.001
258 parameters	Δρ_max = 0.66 e Å⁻³
1 restraint	Δρ_min = −0.45 e Å⁻³

Crystal data top

[Co(C₅H₅N)₂(H₂O)₄](C₁₀H₈ClN₄O₂S)₂	V = 1852.5 (4) Å³
M_r = 856.62	Z = 2
Monoclinic, P2₁/c	Mo Kα radiation
a = 8.5897 (12) Å	µ = 0.78 mm⁻¹
b = 25.807 (3) Å	T = 193 K
c = 8.5338 (12) Å	0.21 × 0.15 × 0.12 mm
β = 101.694 (3)°

Data collection top

Rigaku Mercury CCD diffractometer	4226 independent reflections
Absorption correction: multi-scan (REQAB; Jacobson, 1998)	3331 reflections with I > 2σ(I)
T_min = 0.853, T_max = 0.912	R_int = 0.050
20359 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.054	1 restraint
wR(F²) = 0.108	H atoms treated by a mixture of independent and constrained refinement
S = 1.14	Δρ_max = 0.66 e Å⁻³
4226 reflections	Δρ_min = −0.45 e Å⁻³
258 parameters

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Co1	1.0000	0.5000	0.5000	0.02572 (15)
Cl1	0.07781 (10)	0.20506 (3)	0.22874 (12)	0.0489 (2)
S1	0.54834 (8)	0.39936 (3)	0.61366 (9)	0.02737 (18)
O1	0.9392 (3)	0.42160 (8)	0.4313 (3)	0.0348 (5)
O2	0.7795 (2)	0.51495 (9)	0.5400 (3)	0.0337 (5)
O3	0.6620 (2)	0.37878 (8)	0.5233 (2)	0.0330 (5)
O4	0.5622 (2)	0.45443 (7)	0.6462 (2)	0.0331 (5)
N1	0.9177 (3)	0.52499 (9)	0.2536 (3)	0.0315 (6)
N2	0.3692 (3)	0.39029 (9)	0.5297 (3)	0.0299 (6)
N3	0.7205 (3)	0.30830 (10)	1.2615 (3)	0.0394 (6)
H3A	0.7967	0.2850	1.2827	0.047*
H3B	0.6729	0.3190	1.3377	0.047*
N4	0.1620 (3)	0.34401 (9)	0.3915 (3)	0.0309 (6)
N5	0.0921 (3)	0.30070 (9)	0.3205 (3)	0.0323 (6)
C1	0.9858 (4)	0.56332 (13)	0.1875 (4)	0.0405 (8)
H1C	1.0705	0.5817	0.2530	0.049*
C2	0.9403 (4)	0.57775 (15)	0.0292 (4)	0.0479 (9)
H2C	0.9928	0.6054	−0.0125	0.057*
C3	0.8187 (4)	0.55177 (14)	−0.0666 (4)	0.0457 (9)
H3	0.7851	0.5609	−0.1760	0.055*
C4	0.7458 (4)	0.51210 (14)	−0.0018 (4)	0.0469 (9)
H4	0.6609	0.4933	−0.0657	0.056*
C5	0.7977 (4)	0.49995 (12)	0.1575 (4)	0.0378 (7)
H5	0.7463	0.4726	0.2015	0.045*
C6	0.5891 (3)	0.36813 (10)	0.8007 (3)	0.0262 (6)
C7	0.7082 (4)	0.33130 (12)	0.8356 (4)	0.0339 (7)
H7	0.7613	0.3199	0.7545	0.041*
C8	0.7499 (4)	0.31125 (12)	0.9877 (4)	0.0355 (7)
H8	0.8307	0.2856	1.0101	0.043*
C9	0.6757 (3)	0.32790 (11)	1.1094 (3)	0.0299 (6)
C10	0.5524 (4)	0.36397 (12)	1.0716 (4)	0.0349 (7)
H10	0.4976	0.3750	1.1519	0.042*
C11	0.5097 (3)	0.38357 (11)	0.9191 (4)	0.0334 (7)
H11	0.4252	0.4079	0.8946	0.040*
C12	0.3157 (3)	0.34323 (11)	0.4672 (3)	0.0275 (6)
C13	0.1763 (3)	0.25836 (11)	0.3265 (4)	0.0315 (7)
C14	0.3340 (4)	0.25379 (11)	0.4036 (4)	0.0351 (7)
H14	0.3898	0.2219	0.4054	0.042*
C15	0.4049 (3)	0.29672 (11)	0.4761 (4)	0.0328 (7)
H15	0.5124	0.2957	0.5321	0.039*
H1A	0.859 (5)	0.4089 (15)	0.451 (5)	0.060 (13)*
H1B	1.005 (4)	0.3990 (13)	0.422 (4)	0.038 (10)*
H2A	0.717 (4)	0.4932 (12)	0.559 (5)	0.070 (14)*
H2B	0.734 (4)	0.5420 (15)	0.508 (5)	0.058 (12)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Co1	0.0215 (3)	0.0216 (3)	0.0339 (3)	0.0004 (2)	0.0054 (2)	−0.0016 (2)
Cl1	0.0384 (5)	0.0396 (5)	0.0696 (6)	−0.0099 (3)	0.0126 (4)	−0.0209 (4)
S1	0.0224 (4)	0.0263 (4)	0.0332 (4)	−0.0016 (3)	0.0051 (3)	0.0001 (3)
O1	0.0275 (12)	0.0230 (11)	0.0555 (15)	−0.0012 (10)	0.0120 (11)	−0.0052 (10)
O2	0.0246 (11)	0.0258 (12)	0.0520 (14)	0.0042 (9)	0.0105 (10)	0.0054 (10)
O3	0.0261 (11)	0.0372 (11)	0.0375 (12)	−0.0036 (9)	0.0105 (9)	−0.0032 (9)
O4	0.0326 (11)	0.0247 (10)	0.0413 (12)	−0.0052 (8)	0.0061 (10)	0.0010 (9)
N1	0.0284 (13)	0.0287 (13)	0.0373 (14)	0.0042 (10)	0.0063 (11)	−0.0024 (11)
N2	0.0241 (13)	0.0237 (12)	0.0401 (14)	0.0002 (9)	0.0026 (11)	0.0004 (11)
N3	0.0413 (16)	0.0428 (15)	0.0343 (14)	0.0065 (12)	0.0082 (12)	0.0040 (12)
N4	0.0235 (12)	0.0295 (13)	0.0377 (14)	0.0019 (10)	0.0017 (11)	−0.0023 (11)
N5	0.0261 (13)	0.0296 (13)	0.0399 (15)	−0.0022 (10)	0.0034 (11)	−0.0043 (11)
C1	0.0365 (18)	0.0438 (19)	0.0411 (19)	−0.0041 (14)	0.0075 (15)	0.0011 (15)
C2	0.049 (2)	0.055 (2)	0.041 (2)	0.0012 (17)	0.0155 (17)	0.0091 (17)
C3	0.050 (2)	0.056 (2)	0.0301 (17)	0.0174 (18)	0.0056 (16)	−0.0023 (16)
C4	0.046 (2)	0.047 (2)	0.042 (2)	0.0085 (16)	−0.0042 (17)	−0.0120 (16)
C5	0.0353 (17)	0.0331 (16)	0.0422 (18)	−0.0005 (13)	0.0014 (15)	−0.0027 (14)
C6	0.0198 (14)	0.0253 (14)	0.0334 (16)	−0.0004 (11)	0.0049 (12)	0.0000 (12)
C7	0.0295 (16)	0.0374 (17)	0.0360 (17)	0.0054 (13)	0.0093 (14)	−0.0033 (14)
C8	0.0316 (17)	0.0368 (17)	0.0379 (18)	0.0097 (13)	0.0063 (14)	0.0014 (14)
C9	0.0294 (16)	0.0269 (15)	0.0325 (16)	−0.0039 (12)	0.0046 (13)	−0.0014 (13)
C10	0.0341 (17)	0.0353 (17)	0.0390 (17)	0.0016 (13)	0.0159 (14)	−0.0013 (14)
C11	0.0284 (16)	0.0299 (16)	0.0442 (18)	0.0059 (12)	0.0132 (14)	−0.0003 (14)
C12	0.0245 (14)	0.0260 (14)	0.0318 (16)	0.0021 (11)	0.0053 (12)	0.0017 (12)
C13	0.0270 (15)	0.0292 (16)	0.0394 (17)	−0.0045 (12)	0.0095 (13)	−0.0053 (13)
C14	0.0293 (16)	0.0250 (15)	0.0505 (19)	0.0052 (12)	0.0070 (14)	−0.0020 (14)
C15	0.0211 (15)	0.0292 (15)	0.0463 (18)	0.0015 (11)	0.0025 (13)	0.0002 (14)

Geometric parameters (Å, º) top

Co1—O2ⁱ	2.028 (2)	C1—C2	1.379 (5)
Co1—O2	2.028 (2)	C1—H1C	0.9500
Co1—O1	2.142 (2)	C2—C3	1.365 (5)
Co1—O1ⁱ	2.142 (2)	C2—H2C	0.9500
Co1—N1ⁱ	2.176 (2)	C3—C4	1.374 (5)
Co1—N1	2.176 (2)	C3—H3	0.9500
Cl1—C13	1.737 (3)	C4—C5	1.378 (5)
S1—O4	1.448 (2)	C4—H4	0.9500
S1—O3	1.461 (2)	C5—H5	0.9500
S1—N2	1.577 (2)	C6—C7	1.384 (4)
S1—C6	1.759 (3)	C6—C11	1.387 (4)
O1—H1A	0.81 (4)	C7—C8	1.376 (4)
O1—H1B	0.83 (4)	C7—H7	0.9500
O2—H2A	0.82 (3)	C8—C9	1.392 (4)
O2—H2B	0.82 (4)	C8—H8	0.9500
N1—C1	1.331 (4)	C9—C10	1.398 (4)
N1—C5	1.346 (4)	C10—C11	1.375 (4)
N2—C12	1.368 (3)	C10—H10	0.9500
N3—C9	1.374 (4)	C11—H11	0.9500
N3—H3A	0.8800	C12—C15	1.418 (4)
N3—H3B	0.8800	C13—C14	1.386 (4)
N4—C12	1.347 (4)	C14—C15	1.352 (4)
N4—N5	1.352 (3)	C14—H14	0.9500
N5—C13	1.306 (4)	C15—H15	0.9500

O2ⁱ—Co1—O2	180.0	C1—C2—H2C	120.5
O2ⁱ—Co1—O1	87.63 (9)	C2—C3—C4	118.8 (3)
O2—Co1—O1	92.37 (9)	C2—C3—H3	120.6
O2ⁱ—Co1—O1ⁱ	92.37 (9)	C4—C3—H3	120.6
O2—Co1—O1ⁱ	87.63 (9)	C3—C4—C5	119.0 (3)
O1—Co1—O1ⁱ	180.00 (4)	C3—C4—H4	120.5
O2ⁱ—Co1—N1ⁱ	88.56 (9)	C5—C4—H4	120.5
O2—Co1—N1ⁱ	91.44 (9)	N1—C5—C4	123.1 (3)
O1—Co1—N1ⁱ	89.87 (9)	N1—C5—H5	118.4
O1ⁱ—Co1—N1ⁱ	90.13 (9)	C4—C5—H5	118.4
O2ⁱ—Co1—N1	91.44 (9)	C7—C6—C11	119.4 (3)
O2—Co1—N1	88.56 (9)	C7—C6—S1	120.8 (2)
O1—Co1—N1	90.13 (9)	C11—C6—S1	119.5 (2)
O1ⁱ—Co1—N1	89.87 (9)	C8—C7—C6	120.1 (3)
N1ⁱ—Co1—N1	180.000 (1)	C8—C7—H7	120.0
O4—S1—O3	114.83 (12)	C6—C7—H7	120.0
O4—S1—N2	105.51 (12)	C7—C8—C9	121.1 (3)
O3—S1—N2	113.63 (13)	C7—C8—H8	119.5
O4—S1—C6	106.39 (13)	C9—C8—H8	119.5
O3—S1—C6	106.34 (13)	N3—C9—C8	120.5 (3)
N2—S1—C6	109.90 (13)	N3—C9—C10	121.1 (3)
Co1—O1—H1A	120 (3)	C8—C9—C10	118.3 (3)
Co1—O1—H1B	124 (2)	C11—C10—C9	120.5 (3)
H1A—O1—H1B	111 (3)	C11—C10—H10	119.8
Co1—O2—H2A	125 (3)	C9—C10—H10	119.8
Co1—O2—H2B	120 (3)	C10—C11—C6	120.5 (3)
H2A—O2—H2B	111 (4)	C10—C11—H11	119.7
C1—N1—C5	116.5 (3)	C6—C11—H11	119.7
C1—N1—Co1	123.0 (2)	N4—C12—N2	113.2 (2)
C5—N1—Co1	120.4 (2)	N4—C12—C15	120.3 (3)
C12—N2—S1	121.93 (19)	N2—C12—C15	126.5 (3)
C9—N3—H3A	120.0	N5—C13—C14	124.8 (3)
C9—N3—H3B	120.0	N5—C13—Cl1	115.6 (2)
H3A—N3—H3B	120.0	C14—C13—Cl1	119.6 (2)
C12—N4—N5	120.4 (2)	C15—C14—C13	117.0 (3)
C13—N5—N4	118.8 (2)	C15—C14—H14	121.5
N1—C1—C2	123.7 (3)	C13—C14—H14	121.5
N1—C1—H1C	118.2	C14—C15—C12	118.7 (3)
C2—C1—H1C	118.2	C14—C15—H15	120.6
C3—C2—C1	119.0 (3)	C12—C15—H15	120.6
C3—C2—H2C	120.5

O2ⁱ—Co1—N1—C1	−57.6 (2)	O3—S1—C6—C11	173.7 (2)
O2—Co1—N1—C1	122.4 (2)	N2—S1—C6—C11	−62.9 (3)
O1—Co1—N1—C1	−145.2 (2)	C11—C6—C7—C8	−1.6 (4)
O1ⁱ—Co1—N1—C1	34.8 (2)	S1—C6—C7—C8	173.1 (2)
O2ⁱ—Co1—N1—C5	119.1 (2)	C6—C7—C8—C9	−1.0 (5)
O2—Co1—N1—C5	−60.9 (2)	C7—C8—C9—N3	−178.7 (3)
O1—Co1—N1—C5	31.5 (2)	C7—C8—C9—C10	2.8 (5)
O1ⁱ—Co1—N1—C5	−148.5 (2)	N3—C9—C10—C11	179.5 (3)
O4—S1—N2—C12	173.4 (2)	C8—C9—C10—C11	−2.1 (4)
O3—S1—N2—C12	46.8 (3)	C9—C10—C11—C6	−0.5 (5)
C6—S1—N2—C12	−72.3 (3)	C7—C6—C11—C10	2.3 (4)
C12—N4—N5—C13	−0.2 (4)	S1—C6—C11—C10	−172.5 (2)
C5—N1—C1—C2	−0.3 (5)	N5—N4—C12—N2	178.8 (2)
Co1—N1—C1—C2	176.4 (3)	N5—N4—C12—C15	−1.3 (4)
N1—C1—C2—C3	0.1 (5)	S1—N2—C12—N4	−176.0 (2)
C1—C2—C3—C4	0.0 (5)	S1—N2—C12—C15	4.2 (4)
C2—C3—C4—C5	0.1 (5)	N4—N5—C13—C14	1.2 (5)
C1—N1—C5—C4	0.4 (5)	N4—N5—C13—Cl1	−178.8 (2)
Co1—N1—C5—C4	−176.4 (2)	N5—C13—C14—C15	−0.7 (5)
C3—C4—C5—N1	−0.3 (5)	Cl1—C13—C14—C15	179.3 (2)
O4—S1—C6—C7	−123.9 (2)	C13—C14—C15—C12	−0.9 (5)
O3—S1—C6—C7	−1.0 (3)	N4—C12—C15—C14	1.8 (5)
N2—S1—C6—C7	122.4 (2)	N2—C12—C15—C14	−178.3 (3)
O4—S1—C6—C11	50.8 (3)

Symmetry code: (i) −x+2, −y+1, −z+1.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N3—H3A···N5ⁱⁱ	0.88	2.52	3.135 (4)	127
N3—H3B···O3ⁱⁱⁱ	0.88	2.23	3.001 (3)	147
O1—H1A···O3	0.81 (4)	2.07 (4)	2.874 (3)	174 (4)
O1—H1B···N4^iv	0.83 (4)	2.01 (4)	2.838 (3)	178 (3)
O2—H2A···O4	0.82 (3)	1.93 (4)	2.726 (3)	165 (4)
O2—H2B···N2^v	0.82 (4)	1.96 (4)	2.768 (3)	170 (4)
O2—H2B···O4^v	0.82 (4)	2.62 (4)	3.142 (3)	123 (3)

Symmetry codes: (ii) x+1, y, z+1; (iii) x, y, z+1; (iv) x+1, y, z; (v) −x+1, −y+1, −z+1.

Experimental details

Crystal data
Chemical formula	[Co(C₅H₅N)₂(H₂O)₄](C₁₀H₈ClN₄O₂S)₂
M_r	856.62
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	193
a, b, c (Å)	8.5897 (12), 25.807 (3), 8.5338 (12)
β (°)	101.694 (3)
V (Å³)	1852.5 (4)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	0.78
Crystal size (mm)	0.21 × 0.15 × 0.12

Data collection
Diffractometer	Rigaku Mercury CCD diffractometer
Absorption correction	Multi-scan (REQAB; Jacobson, 1998)
T_min, T_max	0.853, 0.912
No. of measured, independent and observed [I > 2σ(I)] reflections	20359, 4226, 3331
R_int	0.050
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.054, 0.108, 1.14
No. of reflections	4226
No. of parameters	258
No. of restraints	1
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.66, −0.45

Computer programs: CrystalClear (Rigaku, 1999), CrystalStructure (Rigaku/MSC and Rigaku, 2000), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).