catena-Poly[[aqua-copper(II)]-μ(2)-imino-diacetato-κO,N,O':O'].

In the title compound, [Cu(C(4)H(5)O(4))(H(2)O)](n), the imino-diacetate (ida) ligands link the Cu(II) atoms into polymeric zigzag chains running along [010]. Each Cu(II) ion is five-coordinated in a distorted square-pyramidal geometry by one N and two O atoms from an ida ligand, one O atom from the neighbouring ida ligand and one water O atom. In the crystal, the polymeric chains are held together via inter-molecular O-H⋯O and N-H⋯O hydrogen bonds.

Related literature

For applications of coordination polymers containing bridging carboxyl­ate groups, see: Dey et al. (2003 ▶); Wu et al. (2009 ▶); Zhang et al. (2008 ▶). For coordination n class="Chemical">polymers with imino­diacetic acid, see: Bresciani-Pahor et al. (1984 ▶); Ren et al. (2003 ▶); Song et al. (2011 ▶).

Experimental

Crystal data

[Cu(C4H5O4)(n class="Chemical">H2O)]

M = 212.65

Monoclinic,

a = 6.563 (3) Å

b = 9.870 (4) Å

c = 10.876 (4) Å

β = 99.802 (8)°

V = 694.2 (5) Å3

Z = 4

Mo Kα radiation

μ = 3.12 mm−1

T = 223 K

0.40 × 0.25 × 0.15 mm

Data collection

Rigaku Saturn diffractometer

Absorption correction: multi-scan (REQAB; Jacobson, 1998 ▶) T min = 0.369, T max = 0.652

3854 measured reflections

1571 independent reflections

1358 reflections with I > 2σ(I)

R int = 0.026

Refinement

R[F 2 > 2σ(F 2)] = 0.034

wR(F 2) = 0.082

S = 1.02

1571 reflections

110 parameters

3 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.45 e Å−3

Δρmin = −0.48 e Å−3

Data collection: CrystalClear (Rigaku, 2001 ▶); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku, 2001 ▶); 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.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811041286/cv5163sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811041286/cv5163Isup2.hkl

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

[Cu(C4H5O4)(H2O)]	F(000) = 428
Mr = 212.65	Dx = 2.035 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71075 Å
Hall symbol: -P 2ybc	Cell parameters from 3372 reflections
a = 6.563 (3) Å	θ = 3.1–27.5°
b = 9.870 (4) Å	µ = 3.12 mm−1
c = 10.876 (4) Å	T = 223 K
β = 99.802 (8)°	Block, blue
V = 694.2 (5) Å3	0.40 × 0.25 × 0.15 mm
Z = 4

Rigaku Saturn diffractometer	1571 independent reflections
Radiation source: fine-focus sealed tube	1358 reflections with I > 2σ(I)
graphite	Rint = 0.026
Detector resolution: 14.63 pixels mm-1	θmax = 27.5°, θmin = 3.2°
ω scans	h = −8→8
Absorption correction: multi-scan (REQAB; Jacobson, 1998)	k = −12→12
Tmin = 0.369, Tmax = 0.652	l = −9→14
3854 measured reflections

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)] = 0.034	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.082	H atoms treated by a mixture of independent and constrained refinement
S = 1.02	w = 1/[σ2(Fo2) + (0.046P)2 + 0.157P] where P = (Fo2 + 2Fc2)/3
1571 reflections	(Δ/σ)max < 0.001
110 parameters	Δρmax = 0.45 e Å−3
3 restraints	Δρmin = −0.48 e Å−3

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
Cu1	0.85030 (5)	0.23532 (3)	0.75251 (3)	0.02015 (14)
O1	0.6802 (4)	0.2321 (2)	0.5873 (2)	0.0312 (5)
O2	0.4101 (3)	0.3228 (3)	0.4674 (2)	0.0378 (6)
O3	0.9803 (3)	0.4446 (2)	0.7449 (2)	0.0312 (5)
O4	0.9274 (3)	0.64968 (19)	0.8186 (2)	0.0265 (5)
O5	0.9679 (4)	0.1781 (3)	0.9246 (2)	0.0454 (6)
H5A	0.897 (6)	0.212 (4)	0.978 (3)	0.054*
H5B	1.1022 (18)	0.184 (5)	0.945 (4)	0.054*
N1	0.6164 (4)	0.3497 (2)	0.7986 (2)	0.0200 (5)
H11A	0.546 (4)	0.303 (3)	0.844 (3)	0.024*
C1	0.4669 (4)	0.3788 (3)	0.6828 (3)	0.0263 (6)
H1A	0.4639	0.4767	0.6674	0.032*
H1B	0.3282	0.3511	0.6949	0.032*
C2	0.5202 (5)	0.3069 (3)	0.5707 (3)	0.0256 (6)
C3	0.7073 (4)	0.4735 (3)	0.8622 (3)	0.0226 (6)
H3A	0.7568	0.4537	0.9505	0.027*
H3B	0.6011	0.5440	0.8571	0.027*
C4	0.8864 (4)	0.5246 (3)	0.8023 (3)	0.0208 (6)

	U11	U22	U33	U12	U13	U23
Cu1	0.0235 (2)	0.0177 (2)	0.0204 (2)	0.00209 (13)	0.00672 (14)	0.00000 (13)
O1	0.0320 (12)	0.0387 (12)	0.0226 (12)	0.0087 (10)	0.0042 (9)	−0.0061 (9)
O2	0.0342 (12)	0.0540 (14)	0.0233 (13)	0.0085 (11)	−0.0003 (10)	−0.0008 (11)
O3	0.0306 (12)	0.0195 (10)	0.0491 (15)	−0.0004 (9)	0.0229 (10)	−0.0010 (9)
O4	0.0341 (11)	0.0187 (9)	0.0297 (12)	−0.0081 (9)	0.0138 (9)	−0.0055 (8)
O5	0.0394 (14)	0.0669 (18)	0.0307 (15)	0.0129 (14)	0.0085 (11)	0.0028 (12)
N1	0.0231 (12)	0.0185 (11)	0.0202 (13)	−0.0033 (10)	0.0085 (9)	−0.0004 (9)
C1	0.0233 (14)	0.0289 (15)	0.0263 (17)	0.0006 (13)	0.0030 (12)	−0.0012 (12)
C2	0.0284 (16)	0.0253 (14)	0.0235 (16)	−0.0030 (13)	0.0055 (12)	0.0000 (12)
C3	0.0265 (15)	0.0171 (12)	0.0263 (16)	−0.0019 (11)	0.0101 (12)	−0.0053 (11)
C4	0.0203 (14)	0.0199 (13)	0.0215 (15)	−0.0032 (11)	0.0016 (11)	0.0019 (11)

Cu1—O1	1.948 (2)	O5—H5B	0.873 (10)
Cu1—O4i	1.955 (2)	N1—C3	1.478 (3)
Cu1—O5	1.981 (3)	N1—C1	1.486 (4)
Cu1—N1	2.036 (2)	N1—H11A	0.863 (10)
Cu1—O3	2.241 (2)	C1—C2	1.503 (4)
O1—C2	1.271 (4)	C1—H1A	0.9800
O2—C2	1.238 (4)	C1—H1B	0.9800
O3—C4	1.234 (3)	C3—C4	1.523 (4)
O4—C4	1.270 (3)	C3—H3A	0.9800
O4—Cu1ii	1.955 (2)	C3—H3B	0.9800
O5—H5A	0.873 (10)
O1—Cu1—O4i	88.70 (10)	C1—N1—H11A	104 (2)
O1—Cu1—O5	159.50 (11)	Cu1—N1—H11A	110 (2)
O4i—Cu1—O5	93.05 (10)	N1—C1—C2	112.6 (2)
O1—Cu1—N1	84.15 (10)	N1—C1—H1A	109.1
O4i—Cu1—N1	168.97 (9)	C2—C1—H1A	109.1
O5—Cu1—N1	96.58 (10)	N1—C1—H1B	109.1
O1—Cu1—O3	98.23 (9)	C2—C1—H1B	109.1
O4i—Cu1—O3	93.97 (8)	H1A—C1—H1B	107.8
O5—Cu1—O3	102.01 (11)	O2—C2—O1	122.9 (3)
N1—Cu1—O3	78.80 (8)	O2—C2—C1	119.7 (3)
C2—O1—Cu1	116.8 (2)	O1—C2—C1	117.4 (3)
C4—O3—Cu1	110.15 (17)	N1—C3—C4	110.7 (2)
C4—O4—Cu1ii	121.34 (19)	N1—C3—H3A	109.5
Cu1—O5—H5A	111 (3)	C4—C3—H3A	109.5
Cu1—O5—H5B	116 (3)	N1—C3—H3B	109.5
H5A—O5—H5B	116 (4)	C4—C3—H3B	109.5
C3—N1—C1	113.1 (2)	H3A—C3—H3B	108.1
C3—N1—Cu1	108.17 (17)	O3—C4—O4	125.4 (3)
C1—N1—Cu1	108.40 (17)	O3—C4—C3	119.5 (2)
C3—N1—H11A	113 (2)	O4—C4—C3	115.0 (2)
O4i—Cu1—O1—C2	−164.3 (2)	O3—Cu1—N1—C1	93.24 (18)
O5—Cu1—O1—C2	100.5 (3)	C3—N1—C1—C2	125.0 (3)
N1—Cu1—O1—C2	7.3 (2)	Cu1—N1—C1—C2	5.1 (3)
O3—Cu1—O1—C2	−70.5 (2)	Cu1—O1—C2—O2	173.5 (2)
O1—Cu1—O3—C4	100.6 (2)	Cu1—O1—C2—C1	−6.1 (3)
O4i—Cu1—O3—C4	−170.2 (2)	N1—C1—C2—O2	−179.3 (3)
O5—Cu1—O3—C4	−76.2 (2)	N1—C1—C2—O1	0.3 (4)
N1—Cu1—O3—C4	18.2 (2)	C1—N1—C3—C4	−82.1 (3)
O1—Cu1—N1—C3	−129.37 (18)	Cu1—N1—C3—C4	38.0 (3)
O4i—Cu1—N1—C3	−79.5 (5)	Cu1—O3—C4—O4	177.6 (2)
O5—Cu1—N1—C3	71.24 (19)	Cu1—O3—C4—C3	−1.3 (3)
O3—Cu1—N1—C3	−29.75 (17)	Cu1ii—O4—C4—O3	1.8 (4)
O1—Cu1—N1—C1	−6.38 (17)	Cu1ii—O4—C4—C3	−179.27 (19)
O4i—Cu1—N1—C1	43.5 (5)	N1—C3—C4—O3	−24.3 (4)
O5—Cu1—N1—C1	−165.77 (18)	N1—C3—C4—O4	156.6 (2)

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5A···O1iii	0.87 (1)	2.08 (1)	2.936 (4)	168 (4)
O5—H5B···O2iv	0.87 (1)	1.99 (1)	2.860 (4)	171 (4)
N1—H11A···O2iii	0.86 (1)	2.13 (1)	2.992 (3)	173 (3)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H5A⋯O1i	0.87 (1)	2.08 (1)	2.936 (4)	168 (4)
O5—H5B⋯O2ii	0.87 (1)	1.99 (1)	2.860 (4)	171 (4)
N1—H11A⋯O2i	0.86 (1)	2.13 (1)	2.992 (3)	173 (3)

Symmetry codes: (i) ; (ii) .