Poly[diaqua-(μ(3)-8-oxidoquinoline-5-sulfonato-κN,O:O:O)nickel(II)].

In title compound, [Ni(C(9)H(5)NO(4)S)(H(2)O)(2)](n), the Ni(II) atom is coordinated by one N atom and two bridging O atoms from two 8-oxidoquinoline-5-sulfonate ligands, one sulfonate O atom from a third ligand, and two water mol-ecules in a distorted octa-hedral geometry. The two Ni(II) atoms are linked to each other through the bridging O atoms, forming a dimer. Adjacent dimers are connected through the coordination of the sulfonate O atom into a two-dimensional coordination network parallel to (010). Hydrogen bonds between the coordinated water mol-ecules and the uncoordinated O atoms of the sulfonate groups result in the construction of a three-dimensional supra-molecular structure.

Related literature

For related structures, see: Ammor et al. (1992 ▶); Petit et al. (1993a ▶,b ▶); Rao et al. (2003 ▶); Wu et al. (2008 ▶); Xie et al. (1992 ▶).

Experimental

Crystal data

[Ni(C9H5NO4S)(H2O)2]

M = 317.94

Orthorhombic,

a = 9.2067 (8) Å

b = 15.0504 (13) Å

c = 16.1599 (14) Å

V = 2239.2 (3) Å3

Z = 8

Mo Kα radiation

μ = 1.94 mm−1

T = 293 K

0.28 × 0.22 × 0.18 mm

Data collection

Bruker SMART APEX CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.601, T max = 0.701

11973 measured reflections

2198 independent reflections

1874 reflections with I > 2σ(I)

R int = 0.037

Refinement

R[F 2 > 2σ(F 2)] = 0.031

wR(F 2) = 0.079

S = 1.02

2198 reflections

171 parameters

4 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.64 e Å−3

Δρmin = −0.27 e Å−3

Data collection: SMART (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶) and DIAMOND (Brandenburg, 1999 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809026105/hy2203sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809026105/hy2203Isup2.hkl

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

[Ni(C9H5NO4S)(H2O)2]	F(000) = 1296
Mr = 317.94	Dx = 1.886 Mg m−3Dm = 1.886 Mg m−3Dm measured by not measured
Orthorhombic, Pbca	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2ab	Cell parameters from 2198 reflections
a = 9.2067 (8) Å	θ = 2.5–28.1°
b = 15.0504 (13) Å	µ = 1.94 mm−1
c = 16.1599 (14) Å	T = 293 K
V = 2239.2 (3) Å3	Block, green
Z = 8	0.28 × 0.22 × 0.18 mm

Bruker SMART APEX CCD diffractometer	2198 independent reflections
Radiation source: fine-focus sealed tube	1874 reflections with I > 2σ(I)
graphite	Rint = 0.037
φ and ω scans	θmax = 26.0°, θmin = 2.5°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −10→11
Tmin = 0.601, Tmax = 0.701	k = −18→17
11973 measured reflections	l = −18→19

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)] = 0.031	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.079	H atoms treated by a mixture of independent and constrained refinement
S = 1.02	w = 1/[σ2(Fo2) + (0.0484P)2] where P = (Fo2 + 2Fc2)/3
2198 reflections	(Δ/σ)max = 0.001
171 parameters	Δρmax = 0.64 e Å−3
4 restraints	Δρmin = −0.27 e Å−3

	x	y	z	Uiso*/Ueq
Ni1	0.10943 (3)	0.058524 (19)	0.446648 (17)	0.02363 (12)
O5W	−0.0374 (2)	0.16474 (12)	0.44545 (10)	0.0326 (4)
H5WA	−0.0848	0.1645	0.4884	0.049*
O1	0.04736 (19)	0.03393 (11)	0.56593 (9)	0.0264 (4)
N1	0.0998 (2)	0.05336 (12)	0.31986 (12)	0.0250 (5)
C8	−0.0750 (3)	−0.05668 (14)	0.35675 (14)	0.0232 (5)
C9	0.0015 (3)	−0.00829 (15)	0.29298 (13)	0.0231 (5)
C4	−0.0248 (3)	−0.02414 (16)	0.20803 (13)	0.0251 (5)
C2	0.1498 (3)	0.09088 (18)	0.17944 (15)	0.0338 (6)
H2A	0.2007	0.1263	0.1423	0.041*
C3	0.0542 (3)	0.02903 (17)	0.15126 (14)	0.0300 (6)
H3B	0.0406	0.0216	0.0947	0.036*
C5	−0.1275 (3)	−0.09119 (16)	0.18792 (14)	0.0256 (5)
C1	0.1711 (3)	0.10083 (16)	0.26430 (15)	0.0311 (6)
H1B	0.2383	0.1426	0.2826	0.037*
C6	−0.1969 (3)	−0.13796 (16)	0.24900 (15)	0.0310 (6)
H6A	−0.2631	−0.1819	0.2342	0.037*
C7	−0.1711 (3)	−0.12159 (15)	0.33312 (15)	0.0314 (6)
H7A	−0.2193	−0.1549	0.3731	0.038*
O6W	0.2752 (2)	0.14637 (13)	0.45841 (13)	0.0415 (5)
H6WA	0.2501	0.1948	0.4401	0.062*
H5WB	−0.011 (3)	0.2155 (12)	0.4428 (14)	0.029 (7)*
H6WB	0.347 (3)	0.134 (2)	0.4814 (19)	0.060 (11)*
S1	−0.16782 (7)	−0.11580 (4)	0.08365 (4)	0.02460 (16)
O2	−0.21464 (19)	−0.03403 (11)	0.04239 (9)	0.0293 (4)
O4	−0.03579 (19)	−0.15043 (12)	0.04607 (10)	0.0352 (4)
O3	−0.28431 (19)	−0.18166 (11)	0.08585 (10)	0.0313 (4)

	U11	U22	U33	U12	U13	U23
Ni1	0.0259 (2)	0.0217 (2)	0.02325 (19)	−0.00303 (12)	−0.00136 (12)	0.00040 (11)
O5W	0.0340 (11)	0.0262 (10)	0.0375 (10)	0.0004 (8)	0.0078 (8)	0.0026 (8)
O1	0.0293 (10)	0.0275 (9)	0.0225 (8)	−0.0058 (8)	0.0005 (7)	−0.0008 (7)
N1	0.0235 (11)	0.0235 (11)	0.0279 (11)	−0.0013 (8)	−0.0027 (8)	−0.0001 (8)
C8	0.0250 (13)	0.0217 (12)	0.0230 (12)	0.0009 (9)	0.0008 (9)	0.0002 (9)
C9	0.0191 (11)	0.0232 (12)	0.0270 (12)	0.0017 (9)	−0.0022 (9)	−0.0010 (9)
C4	0.0246 (13)	0.0263 (12)	0.0245 (12)	0.0038 (10)	−0.0011 (10)	−0.0017 (9)
C2	0.0348 (15)	0.0385 (15)	0.0282 (13)	−0.0071 (12)	0.0025 (11)	0.0077 (12)
C3	0.0305 (14)	0.0348 (14)	0.0246 (12)	−0.0007 (11)	−0.0002 (10)	0.0009 (10)
C5	0.0259 (13)	0.0259 (12)	0.0250 (12)	0.0028 (10)	−0.0012 (10)	−0.0020 (10)
C1	0.0317 (14)	0.0299 (14)	0.0317 (13)	−0.0106 (11)	−0.0051 (11)	0.0019 (10)
C6	0.0338 (14)	0.0265 (13)	0.0327 (13)	−0.0065 (11)	−0.0032 (11)	−0.0038 (11)
C7	0.0358 (15)	0.0308 (14)	0.0276 (13)	−0.0072 (11)	0.0013 (11)	0.0017 (10)
O6W	0.0318 (11)	0.0256 (10)	0.0670 (13)	−0.0053 (8)	−0.0201 (10)	0.0100 (9)
S1	0.0260 (3)	0.0232 (3)	0.0246 (3)	0.0021 (2)	−0.0014 (2)	−0.0041 (2)
O2	0.0330 (10)	0.0263 (9)	0.0284 (9)	0.0054 (8)	−0.0022 (7)	0.0002 (7)
O4	0.0320 (10)	0.0358 (11)	0.0377 (10)	0.0081 (8)	0.0043 (8)	−0.0047 (8)
O3	0.0353 (10)	0.0276 (9)	0.0310 (9)	−0.0038 (8)	−0.0036 (7)	−0.0052 (7)

Ni1—O1i	2.0153 (17)	C4—C5	1.421 (3)
Ni1—O6W	2.0285 (19)	C2—C3	1.360 (4)
Ni1—O1	2.0443 (16)	C2—C1	1.393 (3)
Ni1—N1	2.052 (2)	C2—H2A	0.9300
Ni1—O5W	2.0936 (19)	C3—H3B	0.9300
Ni1—O2ii	2.1437 (17)	C5—C6	1.371 (3)
O5W—H5WA	0.8200	C5—S1	1.765 (2)
O5W—H5WB	0.804 (17)	C1—H1B	0.9300
O1—C8i	1.320 (3)	C6—C7	1.402 (3)
N1—C1	1.322 (3)	C6—H6A	0.9300
N1—C9	1.367 (3)	C7—H7A	0.9300
C8—O1i	1.320 (3)	O6W—H6WA	0.8200
C8—C7	1.372 (3)	O6W—H6WB	0.784 (17)
C8—C9	1.445 (3)	S1—O4	1.4553 (18)
C9—C4	1.414 (3)	S1—O3	1.4608 (17)
C4—C3	1.418 (3)	S1—O2	1.4645 (17)
O1i—Ni1—O6W	176.93 (8)	C9—C4—C5	117.1 (2)
O1i—Ni1—O1	76.69 (7)	C3—C4—C5	126.5 (2)
O6W—Ni1—O1	103.89 (8)	C3—C2—C1	119.6 (2)
O1i—Ni1—N1	80.92 (7)	C3—C2—H2A	120.2
O6W—Ni1—N1	98.67 (8)	C1—C2—H2A	120.2
O1—Ni1—N1	157.28 (7)	C2—C3—C4	120.1 (2)
O1i—Ni1—O5W	93.64 (8)	C2—C3—H3B	119.9
O6W—Ni1—O5W	89.40 (8)	C4—C3—H3B	119.9
O1—Ni1—O5W	88.06 (7)	C6—C5—C4	120.7 (2)
N1—Ni1—O5W	89.54 (7)	C6—C5—S1	118.81 (19)
O1i—Ni1—O2	59.09 (4)	C4—C5—S1	120.49 (18)
O6W—Ni1—O2	120.98 (6)	N1—C1—C2	122.7 (2)
O1—Ni1—O2	133.91 (5)	N1—C1—H1B	118.6
N1—Ni1—O2ii	95.19 (7)	C2—C1—H1B	118.6
O5W—Ni1—O2ii	170.00 (7)	C5—C6—C7	121.9 (2)
Ni1—O5W—H5WA	109.5	C5—C6—H6A	119.0
Ni1—O5W—H5WB	122 (2)	C7—C6—H6A	119.0
H5WA—O5W—H5WB	102.2	C8—C7—C6	120.3 (2)
C8i—O1—Ni1i	114.35 (14)	C8—C7—H7A	119.9
C8i—O1—Ni1	142.34 (15)	C6—C7—H7A	119.9
Ni1i—O1—Ni1	103.31 (7)	Ni1—O6W—H6WA	109.5
C1—N1—C9	118.7 (2)	Ni1—O6W—H6WB	122 (2)
C1—N1—Ni1	129.50 (16)	H6WA—O6W—H6WB	128.7
C9—N1—Ni1	111.81 (15)	O4—S1—O3	112.36 (11)
O1i—C8—C7	124.9 (2)	O4—S1—O2	110.91 (10)
O1i—C8—C9	116.8 (2)	O3—S1—O2	111.42 (10)
C7—C8—C9	118.3 (2)	O4—S1—C5	107.33 (11)
N1—C9—C4	122.4 (2)	O3—S1—C5	105.87 (10)
N1—C9—C8	115.98 (19)	O2—S1—C5	108.68 (10)
C4—C9—C8	121.6 (2)	S1—O2—Ni1iii	136.95 (11)
C9—C4—C3	116.4 (2)

D—H···A	D—H	H···A	D···A	D—H···A
O5W—H5WA···O3iv	0.82	2.00	2.812 (2)	171
O5W—H5WB···O4v	0.80 (2)	2.07 (2)	2.866 (3)	170 (2)
O6W—H6WA···O3v	0.82	1.93	2.687 (2)	153
O6W—H6WB···O4vi	0.78 (2)	2.04 (2)	2.787 (3)	159 (3)

Table 1

Selected bond lengths (Å)

Ni1—O1i	2.0153 (17)
Ni1—O6W	2.0285 (19)
Ni1—O1	2.0443 (16)
Ni1—N1	2.052 (2)
Ni1—O5W	2.0936 (19)
Ni1—O2ii	2.1437 (17)

Symmetry codes: (i) ; (ii) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5W—H5WA⋯O3iii	0.82	2.00	2.812 (2)	171
O5W—H5WB⋯O4iv	0.80 (2)	2.07 (2)	2.866 (3)	170 (2)
O6W—H6WA⋯O3iv	0.82	1.93	2.687 (2)	153
O6W—H6WB⋯O4v	0.78 (2)	2.04 (2)	2.787 (3)	159 (3)

Symmetry codes: (iii) ; (iv) ; (v) .