Poly[[diaqua-nickel(II)]-μ(2)-4,4'-bipyridine-κN:N'-μ-p-phenyl-enedioxy-diacetato-κO:O'].

The title coordination polymer, [Ni(C(10)H(8)O(6))(C(10)H(8)N(2))(H(2)O)(2)](n), was obtained by the hydro-thermal reaction of nickel(II) sulfate, benzene-1,4-dioxy-diacetic acid (p-phenyl-enedioxy-diacetic acid) and 4,4'-bipyridine (4,4'-bpy) in alkaline aqueous solution. Each Ni(II) atom is coordinated by two O atoms from two benzene-1,4-dioxy-diacetate ligands, two N atoms from two 4,4'-bpy ligands and two water mol-ecules, and displays a distorted octa-hedral geometry. The Ni(II) atom and benzene-1,4-dioxy-diacetate and 4,4'-bpy moieties lie on inversion centres. The benzene-1,4-dioxy-diacetate ligands bridge the Ni(II) atoms to form infinite zigzag chains, which are further inter-connected by 4,4'-bpy ligands to form a grid-like layer parallel to the (01) plane. Moreover, there are O-H⋯O hydrogen-bonding inter-actions within the grid-like layer between the coordinated water mol-ecules and the carboxyl-ate O atoms.

Related literature

For related literature, see: Gao et al. (2005 ▶); Hong et al. (2006 ▶); Qiu et al. (2006 ▶, 2007 ▶).

Experimental

Crystal data

[Ni(C10H8O6)(C10H8N2)(H2O)2]

M = 475.09

Triclinic,

a = 5.7541 (1) Å

b = 8.1704 (1) Å

c = 10.6437 (2) Å

α = 106.157 (1)°

β = 96.818 (1)°

γ = 97.341 (1)°

V = 470.40 (1) Å3

Z = 1

Mo Kα radiation

μ = 1.09 mm−1

T = 293 (2) K

0.26 × 0.23 × 0.19 mm

Data collection

Bruker APEXII area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2004 ▶) T min = 0.765, T max = 0.820

6907 measured reflections

1952 independent reflections

1769 reflections with I > 2σ(I)

R int = 0.026

Refinement

R[F 2 > 2σ(F 2)] = 0.034

wR(F 2) = 0.086

S = 1.08

1952 reflections

142 parameters

H-atom parameters constrained

Δρmax = 0.32 e Å−3

Δρmin = −0.38 e Å−3

Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT (Bruker, 2004 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 ▶); molecular graphics: PLATON (Spek, 2003 ▶) and CAMERON (Watkin et al., 1993 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536807062794/dn2287sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807062794/dn2287Isup2.hkl

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

[Ni(C10H8O6)(C10H8N2)(H2O)2]	Z = 1
Mr = 475.09	F000 = 246
Triclinic, P1	Dx = 1.677 Mg m−3
Hall symbol: -P 1	Mo Kα radiation λ = 0.71073 Å
a = 5.7541 (1) Å	Cell parameters from 1800 reflections
b = 8.1704 (1) Å	θ = 1.4–28.0º
c = 10.6437 (2) Å	µ = 1.09 mm−1
α = 106.157 (1)º	T = 293 (2) K
β = 96.818 (1)º	Block, green
γ = 97.341 (1)º	0.26 × 0.23 × 0.19 mm
V = 470.40 (1) Å3

Bruker APEXII area-detector diffractometer	1952 independent reflections
Radiation source: fine-focus sealed tube	1769 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.026
T = 293(2) K	θmax = 26.5º
φ and ω scans	θmin = 2.0º
Absorption correction: multi-scan(SADABS; Bruker, 2004)	h = −7→7
Tmin = 0.765, Tmax = 0.820	k = −8→10
6907 measured reflections	l = −13→13

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)] = 0.034	H-atom parameters constrained
wR(F2) = 0.086	w = 1/[σ2(Fo2) + (0.0346P)2 + 0.4701P] where P = (Fo2 + 2Fc2)/3
S = 1.08	(Δ/σ)max < 0.001
1952 reflections	Δρmax = 0.32 e Å−3
142 parameters	Δρmin = −0.38 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

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.

	x	y	z	Uiso*/Ueq
C1	0.1666 (4)	0.7074 (3)	0.7930 (2)	0.0318 (6)
H1	0.2876	0.7217	0.8633	0.038*
C2	0.1734 (4)	0.5879 (3)	0.6736 (2)	0.0314 (6)
H2	0.2965	0.5240	0.6655	0.038*
C3	−0.0019 (4)	0.5624 (3)	0.5655 (2)	0.0201 (5)
C4	−0.1819 (4)	0.6612 (3)	0.5876 (2)	0.0262 (5)
H4	−0.3058	0.6487	0.5192	0.031*
C5	−0.1772 (4)	0.7772 (3)	0.7101 (2)	0.0264 (5)
H5	−0.3005	0.8405	0.7218	0.032*
C6	0.1281 (4)	0.7277 (3)	1.1257 (2)	0.0253 (5)
C7	0.3161 (5)	0.6440 (3)	1.1868 (3)	0.0327 (6)
H7A	0.2457	0.5854	1.2444	0.039*
H7B	0.3633	0.5572	1.1163	0.039*
C8	0.5001 (4)	0.8782 (3)	1.3782 (2)	0.0273 (5)
C9	0.6973 (4)	1.0042 (3)	1.4391 (3)	0.0315 (6)
H9	0.8307	1.0079	1.3978	0.038*
C10	0.6996 (4)	1.1242 (3)	1.5598 (3)	0.0315 (6)
H10	0.8344	1.2067	1.5997	0.038*
N1	−0.0044 (3)	0.8038 (2)	0.81332 (18)	0.0227 (4)
Ni1	0.0000	1.0000	1.0000	0.02315 (14)
O1	0.2019 (3)	0.8651 (2)	1.09891 (15)	0.0251 (4)
O2	−0.0799 (3)	0.6527 (2)	1.1047 (2)	0.0427 (5)
O3	0.5228 (3)	0.7621 (2)	1.26119 (17)	0.0332 (4)
O1W	0.3239 (3)	1.1425 (2)	0.98244 (16)	0.0289 (4)
H1W	0.2733	1.2183	0.9556	0.043*
H2W	0.4307	1.1122	0.9424	0.043*

	U11	U22	U33	U12	U13	U23
C1	0.0272 (12)	0.0431 (15)	0.0187 (12)	0.0114 (11)	−0.0037 (9)	−0.0003 (11)
C2	0.0272 (12)	0.0421 (15)	0.0207 (12)	0.0160 (11)	0.0006 (9)	−0.0009 (11)
C3	0.0237 (11)	0.0198 (11)	0.0155 (11)	0.0018 (9)	0.0034 (9)	0.0040 (9)
C4	0.0279 (12)	0.0282 (12)	0.0186 (11)	0.0084 (9)	−0.0033 (9)	0.0019 (9)
C5	0.0281 (12)	0.0257 (12)	0.0233 (12)	0.0104 (9)	0.0010 (9)	0.0025 (10)
C6	0.0307 (12)	0.0254 (12)	0.0201 (11)	0.0100 (10)	0.0063 (9)	0.0040 (9)
C7	0.0391 (14)	0.0283 (13)	0.0327 (14)	0.0099 (11)	0.0040 (11)	0.0111 (11)
C8	0.0275 (11)	0.0332 (13)	0.0256 (12)	0.0098 (10)	0.0017 (9)	0.0145 (10)
C9	0.0228 (11)	0.0448 (15)	0.0318 (14)	0.0072 (10)	0.0079 (10)	0.0175 (12)
C10	0.0246 (11)	0.0379 (14)	0.0326 (14)	0.0008 (10)	0.0026 (10)	0.0142 (11)
N1	0.0247 (9)	0.0231 (10)	0.0175 (9)	0.0040 (8)	0.0035 (8)	0.0014 (8)
Ni1	0.0242 (2)	0.0247 (2)	0.0187 (2)	0.00564 (16)	0.00278 (16)	0.00319 (17)
O1	0.0280 (8)	0.0250 (9)	0.0221 (8)	0.0067 (7)	0.0013 (7)	0.0070 (7)
O2	0.0309 (10)	0.0373 (11)	0.0653 (14)	0.0067 (8)	0.0079 (9)	0.0234 (10)
O3	0.0301 (9)	0.0409 (11)	0.0281 (9)	0.0112 (8)	0.0036 (7)	0.0077 (8)
O1W	0.0231 (8)	0.0335 (9)	0.0317 (9)	0.0058 (7)	0.0060 (7)	0.0110 (8)

C1—N1	1.338 (3)	C7—H7B	0.9700
C1—C2	1.379 (3)	C8—O3	1.372 (3)
C1—H1	0.9300	C8—C9	1.387 (3)
C2—C3	1.386 (3)	C8—C10ii	1.392 (3)
C2—H2	0.9300	C9—C10	1.380 (4)
C3—C4	1.395 (3)	C9—H9	0.9300
C3—C3i	1.486 (4)	C10—C8ii	1.392 (3)
C4—C5	1.377 (3)	C10—H10	0.9300
C4—H4	0.9300	N1—Ni1	2.1735 (18)
C5—N1	1.340 (3)	Ni1—O1	2.0869 (15)
C5—H5	0.9300	Ni1—O1iii	2.0869 (15)
C6—O2	1.237 (3)	Ni1—O1Wiii	2.1245 (16)
C6—O1	1.268 (3)	Ni1—O1W	2.1245 (16)
C6—C7	1.526 (3)	Ni1—N1iii	2.1735 (18)
C7—O3	1.425 (3)	O1W—H1W	0.8206
C7—H7A	0.9700	O1W—H2W	0.8144
N1—C1—C2	123.6 (2)	C10—C9—H9	119.3
N1—C1—H1	118.2	C8—C9—H9	119.3
C2—C1—H1	118.2	C9—C10—C8ii	119.9 (2)
C1—C2—C3	120.4 (2)	C9—C10—H10	120.0
C1—C2—H2	119.8	C8ii—C10—H10	120.0
C3—C2—H2	119.8	C1—N1—C5	116.27 (19)
C2—C3—C4	115.8 (2)	C1—N1—Ni1	122.60 (15)
C2—C3—C3i	122.1 (2)	C5—N1—Ni1	121.09 (15)
C4—C3—C3i	122.1 (2)	O1—Ni1—O1iii	180.000 (1)
C5—C4—C3	120.3 (2)	O1—Ni1—O1Wiii	92.17 (6)
C5—C4—H4	119.8	O1iii—Ni1—O1Wiii	87.83 (6)
C3—C4—H4	119.8	O1—Ni1—O1W	87.83 (6)
N1—C5—C4	123.5 (2)	O1iii—Ni1—O1W	92.17 (6)
N1—C5—H5	118.3	O1Wiii—Ni1—O1W	180.0
C4—C5—H5	118.3	O1—Ni1—N1iii	90.23 (7)
O2—C6—O1	126.6 (2)	O1iii—Ni1—N1iii	89.77 (7)
O2—C6—C7	116.8 (2)	O1Wiii—Ni1—N1iii	91.96 (7)
O1—C6—C7	116.6 (2)	O1W—Ni1—N1iii	88.04 (7)
O3—C7—C6	114.3 (2)	O1—Ni1—N1	89.77 (7)
O3—C7—H7A	108.7	O1iii—Ni1—N1	90.23 (7)
C6—C7—H7A	108.7	O1Wiii—Ni1—N1	88.04 (7)
O3—C7—H7B	108.7	O1W—Ni1—N1	91.96 (7)
C6—C7—H7B	108.7	N1iii—Ni1—N1	180.000 (1)
H7A—C7—H7B	107.6	C6—O1—Ni1	126.73 (15)
O3—C8—C9	115.9 (2)	C8—O3—C7	117.78 (19)
O3—C8—C10ii	125.3 (2)	Ni1—O1W—H1W	100.2
C9—C8—C10ii	118.8 (2)	Ni1—O1W—H2W	131.1
C10—C9—C8	121.3 (2)	H1W—O1W—H2W	108.2

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1W···O2iii	0.82	1.81	2.605 (2)	163
O1W—H2W···O1iv	0.81	2.21	2.962 (2)	155

N1—Ni1	2.1735 (18)
Ni1—O1	2.0869 (15)
Ni1—O1W	2.1245 (16)

O1—Ni1—O1W	87.83 (6)
O1—Ni1—N1	89.77 (7)
O1W—Ni1—N1	91.96 (7)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1W⋯O2i	0.82	1.81	2.605 (2)	163
O1W—H2W⋯O1ii	0.81	2.21	2.962 (2)	155

Symmetry codes: (i) ; (ii) .