Penta­aqua­(acetonitrile-κN)zinc(II) 4,6-dihydroxy­benzene-1,3-disulfonate trihydrate

Xie, B.-Y.; Huang, W.; Zhang, Y.; Yang, R.-Q.; Xie, Y.-R.

doi:10.1107/S1600536810006525

metal-organic compounds

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 66| Part 3| March 2010| Page m341

doi:10.1107/S1600536810006525

Open

access

Pentaaqua(acetonitrile-κN)zinc(II) 4,6-dihydroxybenzene-1,3-disulfonate trihydrate

Bu-Yun Xie,^a Wei Huang,^a Ying Zhang,^a Rui-Qing Yang ^a and Yong-Rong Xie ^a ^*

^aKey Laboratory of Jiangxi University for Functional Materials Chemistry, Department of Chemistry and Life Science, Gannan Normal University, Ganzhou, Jiangxi 341000, People's Republic of China
^*Correspondence e-mail: xieyr@gnnu.edu.cn

(Received 8 February 2010; accepted 19 February 2010; online 27 February 2010)

In the title compound, [Zn(CH₃CN)(H₂O)₅](C₆H₄O₈S₂)·3H₂O, the Zn^II ion lies on a mirror plane and is octahedrally coordinated by one acetonitrile ligand and five water molecules. The 4,6-dihydroxybenzene-1,3-disulfonate anion, acting as a counter-ion, is also located on the mirror plane. The crystal packing is stabilized by O—H⋯O hydrogen bonds, forming a three-dimensional supramolecular network.

Related literature

For general background to the design and construction of coordination compounds of benzenesulfonic acid derivatives, see: Arnold et al. (2001 ); Du et al. (2006 ); Junk & Steed (2007 ); Xie et al. (2002 ); Zhang et al. (2009 ). For related structures, see: Adarsh et al. (2008 ); Francis et al. (2003 ); Lu et al. (2008 ).

Experimental

Crystal data

[Zn(C₂H₃N)(H₂O)₅](C₆H₄O₈S₂)·3H₂O
M_r = 518.80
Orthorhombic, P n m a
a = 12.8731 (10) Å
b = 6.9972 (6) Å
c = 22.9980 (17) Å
V = 2071.6 (3) Å³
Z = 4
Mo Kα radiation
μ = 1.46 mm⁻¹
T = 296 K
0.32 × 0.24 × 0.16 mm

Data collection

Rigaku Mercury2 CCD diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005 ) T_min = 0.661, T_max = 0.790
10992 measured reflections
2581 independent reflections
1891 reflections with I > 2σ(I)
R_int = 0.039

Refinement

R[F² > 2σ(F²)] = 0.037
wR(F²) = 0.097
S = 1.02
2581 reflections
172 parameters
H-atom parameters constrained
Δρ_max = 0.31 e Å⁻³
Δρ_min = −0.43 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H5⋯O5W	0.82	1.82	2.636 (4)	172
O6—H6⋯O4W	0.82	1.77	2.587 (4)	172
O1W—H1WA⋯O3	0.88	2.16	2.956 (3)	151
O1W—H1WA⋯O6	0.88	2.53	3.081 (3)	122
O1W—H1WB⋯O6Wⁱ	0.81	1.91	2.698 (3)	165
O2W—H2WA⋯O2ⁱⁱ	0.89	1.96	2.839 (3)	166
O2W—H2WB⋯O4ⁱⁱⁱ	0.82	1.97	2.774 (3)	166
O3W—H3WA⋯O3^iv	0.82	2.24	2.869 (2)	134
O4W—H4WA⋯O2^v	0.86	1.97	2.829 (3)	177
O5W—H5WA⋯O3^v	0.86	2.09	2.927 (3)	166
O6W—H6WA⋯O1^vi	0.86	1.92	2.734 (4)	158
O6W—H6WB⋯O2^vii	0.84	2.45	3.213 (4)	151
Symmetry codes: (i) x, y-1, z; (ii) $[-x+{\script{1\over 2}}, -y, z+{\script{1\over 2}}]$ ; (iii) -x, -y, -z+1; (iv) $[-x, y+{\script{1\over 2}}, -z+1]$ ; (v) -x+1, -y, -z+1; (vi) $[-x+{\script{1\over 2}}, -y+1, z+{\script{1\over 2}}]$ ; (vii) -x+1, -y+1, -z+1.

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; 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.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810006525/hy2283sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536810006525/hy2283Isup2.hkl

checkCIF report

Comment top

Benzenesulfonic acid derivatives have been found wide range of applications in coordination chemistry as ligands, in medicinal chemistry and materials science. There has been an increased interest in the preparation of coordination compounds of benzenesulfonic acid derivatives (Arnold et al., 2001; Du et al., 2006; Junk & Steed, 2007; Xie et al., 2002; Zhang et al., 2009). We report here the crystal structure of the title compound.

The title compound is built up of one [Zn(C₂H₃N)(H₂O)₅]²⁺ cation, one uncoordinated 4,6-dihydroxybenzene-1,3-disulfonate anion and three uncoordinated water molecules (Fig.1). The distorted octahedral environment around the Zn^II ion consists of one acetonitrile ligand and five water molecules. The Zn—O bond distances range from 2.058 (2) to 2.096 (3) Å. The average Zn—O bond distance of 2.078 Å and the Zn—N bond distance of 2.118 (3) Å are similar to the values in other zinc complex (Adarsh et al., 2008; Francis et al., 2003; Lu et al., 2008). The cations, anions and uncoordinated water molecules are linked into a three-dimensional supramolecular network by O—H···O hydrogen bonds (Table 1 and Fig. 2).

Related literature top

For general background to the design and construction of coordination compounds of benzenesulfonic acid derivatives, see: Arnold et al. (2001); Du et al. (2006); Junk & Steed (2007); Xie et al. (2002); Zhang et al. (2009). For related structures, see: Adarsh et al. (2008); Francis et al. (2003); Lu et al. (2008).

Experimental top

Zn(CH₃CO₂)₂ (0.5 mmol) and 4,6-dihydroxybenzene-1,3-disulfonic acid (0.5 mmol) were dissolved in a mixed solution of water (2 ml) and acetonitrile (16 ml). Colorless block crystals of the title compound suitable for X-ray analysis were obtained by evaporation of the solvent in air (yield 63% based on Zn).

Computing details top

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear (Rigaku, 2005); data reduction: CrystalClear (Rigaku, 2005); 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 of the title compound. Displacement ellipsoids are drawn at the 30% probability level. [Symmetry code: (i) x, 1/2-y, z.]
	Fig. 2. The crystal packing of the title compound viewed along the b axis. H atoms not involved in hydrogen bonding (dashed lines) have been omitted for clarity.

Pentaaqua(acetonitrile-κN)zinc(II) 4,6-dihydroxybenzene-1,3-disulfonate trihydrate top

Crystal data top

[Zn(C₂H₃N)(H₂O)₅](C₆H₄O₈S₂)·3H₂O	F(000) = 1072
M_r = 518.80	D_x = 1.663 Mg m⁻³
Orthorhombic, Pnma	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2n	Cell parameters from 2210 reflections
a = 12.8731 (10) Å	θ = 2.4–27.6°
b = 6.9972 (6) Å	µ = 1.46 mm⁻¹
c = 22.9980 (17) Å	T = 296 K
V = 2071.6 (3) Å³	Block, colourless
Z = 4	0.32 × 0.24 × 0.16 mm

Data collection top

Rigaku Mercury2 CCD diffractometer	2581 independent reflections
Radiation source: fine-focus sealed tube	1891 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.039
ϕ and ω scans	θ_max = 27.6°, θ_min = 2.4°
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005)	h = −16→14
T_min = 0.661, T_max = 0.790	k = −9→9
10992 measured reflections	l = −29→29

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.037	H-atom parameters constrained
wR(F²) = 0.097	w = 1/[σ²(F_o²) + (0.0457P)² + 0.7072P] where P = (F_o² + 2F_c²)/3
S = 1.02	(Δ/σ)_max < 0.001
2581 reflections	Δρ_max = 0.31 e Å⁻³
172 parameters	Δρ_min = −0.43 e Å⁻³
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008)
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0021 (5)

Crystal data top

[Zn(C₂H₃N)(H₂O)₅](C₆H₄O₈S₂)·3H₂O	V = 2071.6 (3) Å³
M_r = 518.80	Z = 4
Orthorhombic, Pnma	Mo Kα radiation
a = 12.8731 (10) Å	µ = 1.46 mm⁻¹
b = 6.9972 (6) Å	T = 296 K
c = 22.9980 (17) Å	0.32 × 0.24 × 0.16 mm

Data collection top

Rigaku Mercury2 CCD diffractometer	2581 independent reflections
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005)	1891 reflections with I > 2σ(I)
T_min = 0.661, T_max = 0.790	R_int = 0.039
10992 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.037	0 restraints
wR(F²) = 0.097	H-atom parameters constrained
S = 1.02	Δρ_max = 0.31 e Å⁻³
2581 reflections	Δρ_min = −0.43 e Å⁻³
172 parameters

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

	x	y	z	U_iso*/U_eq
Zn1	0.05196 (4)	0.2500	0.648181 (17)	0.04642 (16)
O1W	0.1416 (2)	0.0416 (4)	0.60984 (10)	0.0831 (8)
H1WB	0.1599	−0.0361	0.6336	0.117 (17)*
H1WA	0.1627	0.0469	0.5736	0.17 (2)*
O2W	−0.04689 (16)	0.0412 (3)	0.68120 (8)	0.0615 (6)
H2WB	−0.0611	−0.0355	0.6555	0.075 (11)*
H2WA	−0.0580	−0.0096	0.7164	0.122 (16)*
O3W	−0.0392 (2)	0.2500	0.57265 (12)	0.0579 (8)
H3WA	−0.0285	0.3485	0.5542	0.15 (2)*
N1	0.1330 (3)	0.2500	0.72832 (15)	0.0672 (11)
C7	0.2069 (4)	0.2500	0.8316 (2)	0.0734 (14)
H7A	0.1782	0.1343	0.8467	0.17 (2)*
H7B	0.2756	0.2500	0.8350	0.11 (2)*
C8	0.1698 (4)	0.2500	0.7727 (2)	0.0621 (12)
S1	0.49094 (8)	0.2500	0.30660 (3)	0.0414 (2)
S2	0.15787 (7)	0.2500	0.44987 (3)	0.0375 (2)
O1	0.4012 (2)	0.2500	0.26982 (10)	0.0735 (10)
O2	0.55305 (17)	0.0800 (3)	0.29897 (8)	0.0669 (6)
O3	0.13088 (14)	0.0779 (3)	0.48192 (7)	0.0494 (5)
O4	0.11538 (19)	0.2500	0.39111 (10)	0.0464 (6)
O5	0.6117 (2)	0.2500	0.41697 (10)	0.0594 (8)
H5	0.6426	0.2500	0.4482	0.044 (11)*
O6	0.3153 (2)	0.2500	0.54301 (9)	0.0527 (7)
H6	0.3605	0.2500	0.5681	0.086 (17)*
C1	0.5087 (3)	0.2500	0.42656 (13)	0.0394 (8)
C3	0.3602 (3)	0.2500	0.48999 (13)	0.0359 (8)
C4	0.2939 (3)	0.2500	0.44165 (13)	0.0351 (8)
C2	0.4660 (3)	0.2500	0.48202 (13)	0.0407 (9)
H2	0.5097	0.2500	0.5142	0.047 (10)*
C5	0.3365 (3)	0.2500	0.38655 (13)	0.0349 (8)
H5A	0.2929	0.2500	0.3543	0.028 (8)*
C6	0.4421 (3)	0.2500	0.37869 (13)	0.0357 (8)
O4W	0.4428 (2)	0.2500	0.62998 (12)	0.0598 (8)
H4WA	0.4421	0.1514	0.6522	0.108 (16)*
O5W	0.7285 (2)	0.2500	0.51114 (13)	0.0664 (8)
H5WA	0.7607	0.1441	0.5160	0.108 (16)*
O6W	0.2208 (2)	0.7500	0.67248 (12)	0.0559 (7)
H6WB	0.2849	0.7500	0.6800	0.12 (2)*
H6WA	0.1983	0.7500	0.7077	0.092 (18)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Zn1	0.0641 (3)	0.0442 (3)	0.0310 (2)	0.000	−0.00282 (19)	0.000
O1W	0.128 (2)	0.0722 (17)	0.0490 (11)	0.0344 (15)	0.0277 (12)	0.0130 (13)
O2W	0.1018 (17)	0.0502 (12)	0.0326 (9)	−0.0182 (11)	−0.0079 (9)	0.0075 (10)
O3W	0.089 (2)	0.0464 (17)	0.0386 (13)	0.000	−0.0161 (14)	0.000
N1	0.070 (3)	0.085 (3)	0.0461 (19)	0.000	−0.0087 (18)	0.000
C7	0.069 (4)	0.089 (4)	0.063 (3)	0.000	−0.022 (2)	0.000
C8	0.067 (3)	0.053 (3)	0.066 (3)	0.000	−0.018 (2)	0.000
S1	0.0572 (6)	0.0451 (5)	0.0218 (3)	0.000	0.0032 (4)	0.000
S2	0.0406 (5)	0.0411 (5)	0.0307 (4)	0.000	−0.0036 (3)	0.000
O1	0.071 (2)	0.126 (3)	0.0242 (11)	0.000	−0.0051 (12)	0.000
O2	0.1018 (16)	0.0626 (14)	0.0362 (9)	0.0273 (13)	0.0188 (10)	0.0016 (10)
O3	0.0521 (11)	0.0500 (12)	0.0462 (9)	−0.0103 (9)	−0.0010 (8)	0.0091 (9)
O4	0.0487 (15)	0.0545 (17)	0.0360 (12)	0.000	−0.0117 (11)	0.000
O5	0.0416 (16)	0.104 (3)	0.0331 (12)	0.000	0.0003 (11)	0.000
O6	0.0467 (15)	0.087 (2)	0.0244 (10)	0.000	0.0018 (11)	0.000
C1	0.043 (2)	0.045 (2)	0.0302 (15)	0.000	0.0022 (14)	0.000
C3	0.043 (2)	0.042 (2)	0.0227 (13)	0.000	0.0014 (13)	0.000
C4	0.0396 (19)	0.0376 (19)	0.0281 (14)	0.000	−0.0030 (13)	0.000
C2	0.048 (2)	0.051 (2)	0.0232 (14)	0.000	−0.0068 (13)	0.000
C5	0.041 (2)	0.0387 (19)	0.0247 (14)	0.000	−0.0041 (13)	0.000
C6	0.050 (2)	0.0360 (19)	0.0209 (13)	0.000	−0.0003 (13)	0.000
O4W	0.085 (2)	0.0572 (19)	0.0370 (13)	0.000	−0.0126 (13)	0.000
O5W	0.0649 (19)	0.061 (2)	0.073 (2)	0.000	−0.0245 (16)	0.000
O6W	0.0485 (18)	0.071 (2)	0.0479 (15)	0.000	0.0108 (13)	0.000

Geometric parameters (Å, º) top

Zn1—O1W	2.058 (2)	S2—O4	1.458 (2)
Zn1—O2W	2.081 (2)	S2—C4	1.762 (4)
Zn1—O3W	2.096 (3)	O5—C1	1.344 (4)
Zn1—N1	2.118 (3)	O5—H5	0.8206
O1W—H1WB	0.8063	O6—C3	1.349 (4)
O1W—H1WA	0.8769	O6—H6	0.8201
O2W—H2WB	0.8197	C1—C2	1.389 (4)
O2W—H2WA	0.8948	C1—C6	1.395 (4)
O3W—H3WA	0.8204	C3—O6	1.349 (4)
N1—C8	1.126 (5)	C3—C2	1.375 (5)
C7—C8	1.435 (6)	C3—C4	1.402 (4)
C7—H7A	0.9553	C4—C5	1.381 (4)
C7—H7B	0.8878	C2—H2	0.9300
S1—O1	1.432 (3)	C5—C6	1.371 (5)
S1—O2ⁱ	1.444 (2)	C5—H5A	0.9300
S1—O2	1.444 (2)	O4W—H4WA	0.8585
S1—C6	1.773 (3)	O5W—H5WA	0.8563
S2—O3ⁱ	1.4541 (19)	O6W—H6WB	0.8433
S2—O3	1.4541 (19)	O6W—H6WA	0.8611
S2—O3	1.4541 (19)

O1W—Zn1—O1Wⁱ	90.26 (14)	O3ⁱ—S2—O3	111.83 (16)
O1W—Zn1—O2Wⁱ	175.32 (9)	O3ⁱ—S2—O3	111.83 (16)
O1Wⁱ—Zn1—O2Wⁱ	90.09 (10)	O3ⁱ—S2—O4	112.35 (9)
O1W—Zn1—O2W	90.09 (10)	O3—S2—O4	112.35 (9)
O1Wⁱ—Zn1—O2W	175.32 (9)	O3—S2—O4	112.35 (9)
O2Wⁱ—Zn1—O2W	89.19 (12)	O3ⁱ—S2—C4	106.98 (10)
O1W—Zn1—O3W	87.63 (9)	O3—S2—C4	106.98 (10)
O1Wⁱ—Zn1—O3W	87.63 (9)	O3—S2—C4	106.98 (10)
O2Wⁱ—Zn1—O3W	87.72 (8)	O4—S2—C4	105.87 (15)
O2W—Zn1—O3W	87.72 (8)	C1—O5—H5	109.6
O1W—Zn1—N1	95.54 (10)	C3—O6—H6	109.5
O1Wⁱ—Zn1—N1	95.54 (10)	O5—C1—C2	122.7 (3)
O2Wⁱ—Zn1—N1	89.07 (9)	O5—C1—C6	118.4 (3)
O2W—Zn1—N1	89.07 (9)	C2—C1—C6	118.8 (3)
O3W—Zn1—N1	175.50 (13)	O6—C3—C2	123.0 (3)
Zn1—O1W—H1WB	110.5	O6—C3—C2	123.0 (3)
Zn1—O1W—H1WA	123.4	O6—C3—C4	117.2 (3)
H1WB—O1W—H1WA	125.6	O6—C3—C4	117.2 (3)
Zn1—O2W—H2WB	109.4	C2—C3—C4	119.8 (3)
Zn1—O2W—H2WA	134.9	C5—C4—C3	119.1 (3)
H2WB—O2W—H2WA	110.9	C5—C4—S2	119.6 (2)
Zn1—O3W—H3WA	109.5	C3—C4—S2	121.3 (2)
C8—N1—Zn1	175.3 (4)	C3—C2—C1	120.9 (3)
C8—C7—H7A	102.4	C3—C2—H2	119.5
C8—C7—H7B	114.5	C1—C2—H2	119.5
H7A—C7—H7B	110.7	C6—C5—C4	121.0 (3)
N1—C8—C7	174.6 (6)	C6—C5—H5A	119.5
O1—S1—O2ⁱ	112.01 (11)	C4—C5—H5A	119.5
O1—S1—O2	112.01 (11)	C5—C6—C1	120.3 (3)
O2ⁱ—S1—O2	110.9 (2)	C5—C6—S1	118.3 (2)
O1—S1—C6	105.47 (16)	C1—C6—S1	121.4 (3)
O2ⁱ—S1—C6	108.06 (10)	H6WB—O6W—H6WA	97.8
O2—S1—C6	108.06 (10)

Symmetry code: (i) x, −y+1/2, z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5···O5W	0.82	1.82	2.636 (4)	172
O6—H6···O4W	0.82	1.77	2.587 (4)	172
O1W—H1WA···O3	0.88	2.16	2.956 (3)	151
O1W—H1WA···O6	0.88	2.53	3.081 (3)	122
O1W—H1WB···O6Wⁱⁱ	0.81	1.91	2.698 (3)	165
O2W—H2WA···O2ⁱⁱⁱ	0.89	1.96	2.839 (3)	166
O2W—H2WB···O4^iv	0.82	1.97	2.774 (3)	166
O3W—H3WA···O3^v	0.82	2.24	2.869 (2)	134
O4W—H4WA···O2^vi	0.86	1.97	2.829 (3)	177
O5W—H5WA···O3^vi	0.86	2.09	2.927 (3)	166
O6W—H6WA···O1^vii	0.86	1.92	2.734 (4)	158
O6W—H6WB···O2^viii	0.84	2.45	3.213 (4)	151

Symmetry codes: (ii) x, y−1, z; (iii) −x+1/2, −y, z+1/2; (iv) −x, −y, −z+1; (v) −x, y+1/2, −z+1; (vi) −x+1, −y, −z+1; (vii) −x+1/2, −y+1, z+1/2; (viii) −x+1, −y+1, −z+1.

Experimental details

Crystal data
Chemical formula	[Zn(C₂H₃N)(H₂O)₅](C₆H₄O₈S₂)·3H₂O
M_r	518.80
Crystal system, space group	Orthorhombic, Pnma
Temperature (K)	296
a, b, c (Å)	12.8731 (10), 6.9972 (6), 22.9980 (17)
V (Å³)	2071.6 (3)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	1.46
Crystal size (mm)	0.32 × 0.24 × 0.16

Data collection
Diffractometer	Rigaku Mercury2 CCD diffractometer
Absorption correction	Multi-scan (CrystalClear; Rigaku, 2005)
T_min, T_max	0.661, 0.790
No. of measured, independent and observed [I > 2σ(I)] reflections	10992, 2581, 1891
R_int	0.039
(sin θ/λ)_max (Å⁻¹)	0.652

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.037, 0.097, 1.02
No. of reflections	2581
No. of parameters	172
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.31, −0.43

Computer programs: CrystalClear (Rigaku, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5···O5W	0.82	1.82	2.636 (4)	172
O6—H6···O4W	0.82	1.77	2.587 (4)	172
O1W—H1WA···O3	0.88	2.16	2.956 (3)	151
O1W—H1WA···O6	0.88	2.53	3.081 (3)	122
O1W—H1WB···O6Wⁱ	0.81	1.91	2.698 (3)	165
O2W—H2WA···O2ⁱⁱ	0.89	1.96	2.839 (3)	166
O2W—H2WB···O4ⁱⁱⁱ	0.82	1.97	2.774 (3)	166
O3W—H3WA···O3^iv	0.82	2.24	2.869 (2)	134
O4W—H4WA···O2^v	0.86	1.97	2.829 (3)	177
O5W—H5WA···O3^v	0.86	2.09	2.927 (3)	166
O6W—H6WA···O1^vi	0.86	1.92	2.734 (4)	158
O6W—H6WB···O2^vii	0.84	2.45	3.213 (4)	151

Symmetry codes: (i) x, y−1, z; (ii) −x+1/2, −y, z+1/2; (iii) −x, −y, −z+1; (iv) −x, y+1/2, −z+1; (v) −x+1, −y, −z+1; (vi) −x+1/2, −y+1, z+1/2; (vii) −x+1, −y+1, −z+1.

Acknowledgements

This work was supported financially by the National Natural Science Foundation of China (grant No. 20861001) and the Development Program of Science and Technology of the Education Department of Jiangxi Province (20060237).

References

Adarsh, N. N., Kumar, D. K. & Dastidar, P. (2008). CrystEngComm, 10, 1565–1573. Web of Science CSD CrossRef CAS Google Scholar
Arnold, P. J., Davies, S. C., Dilworth, J. R., Durrant, M. C., Griffiths, D. V., Hughes, D. L., Richards, R. L. & Sharpe, P. C. (2001). J. Chem. Soc. Dalton Trans. pp. 736–746. Web of Science CSD CrossRef Google Scholar
Du, Z.-Y., Xu, H.-B. & Mao, J.-G. (2006). Inorg. Chem. 45, 9780–9788. Web of Science CSD CrossRef PubMed CAS Google Scholar
Francis, S., Muthiah, P. T., Bocelli, G. & Cantoni, A. (2003). Acta Cryst. E59, m87–m90. Web of Science CSD CrossRef IUCr Journals Google Scholar
Junk, P. C. & Steed, J. W. (2007). Inorg. Chim. Acta, 360, 1661–1668. Web of Science CSD CrossRef CAS Google Scholar
Lu, Y.-G., Cheng, W., Meng, X.-R. & Hou, H.-W. (2008). J. Mol. Struct. 875, 183–188. Web of Science CSD CrossRef CAS Google Scholar
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Xie, Y.-R., Xiong, R.-G., Xue, X., Chen, X.-T., Xue, Z.-L. & You, X.-Z. (2002). Inorg. Chem. 41, 3323–3326. Web of Science CSD CrossRef PubMed CAS Google Scholar
Zhang, K.-L., Yang, B. & Ng, S. W. (2009). Acta Cryst. E65, m239–m240. Web of Science CSD CrossRef IUCr Journals Google Scholar

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 66| Part 3| March 2010| Page m341

doi:10.1107/S1600536810006525

Open

access

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Plain Text

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Plain Text

Search IUCr Journals		doi		Advanced search
Author		volume	page

metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Penta­aqua­(aceto­nitrile-κN)zinc(II) 4,6-di­hydroxy­benzene-1,3-di­sulfonate trihydrate

Related literature

Experimental

Crystal data

Data collection

Refinement

Supporting information

Acknowledgements

References

metal-organic compounds

Pentaaqua(acetonitrile-κN)zinc(II) 4,6-dihydroxybenzene-1,3-disulfonate trihydrate