Poly[trans-diaqua-bis[μ-3-(3-pyrid-yl)propionato-κN,O]cadmium(II)].

The title compound [Cd(L)(2)(H(2)O)(2)](n) (L = 3-pyridine-propionic acid, C(8)H(8)NO(2)), is a two-dimensional coordination polymer in which the Cd(II) ion lies on an inversion center and is coordinated in a slightly distorted octa-hedral environment. The aqua H atoms are involved in inter-molecular O-H⋯O hydrogen bonds, which extend the two-dimensional structure to a three-dimensional architecture. The Cd⋯Cd separation within a layer is 9.0031 (1) Å.

Related literature

For the isostructural zinc analog, see: Wang et al. (2006 ▶) and for the cobalt and nickel analogs, see: Martin et al. (2007 ▶). For background information on coordination polymers, see: Batten et al. (2009 ▶); Lu (2003 ▶); Perry et al. (2009 ▶); Robin & Fromm (2006 ▶). For coordination polymers based on pyridine carboxyl­ates, see: Huh & Lee (2006 ▶, 2007 ▶, 2008 ▶); Kim et al. (2007 ▶); Min et al. (2001 ▶, 2002 ▶); Min & Lee (2002 ▶).

Experimental

Crystal data

[Cd(C8H8NO2)2(H2O)2]

M = 448.74

Monoclinic,

a = 9.6934 (4) Å

b = 8.9082 (4) Å

c = 10.1199 (5) Å

β = 104.309 (2)°

V = 846.75 (7) Å3

Z = 2

Mo Kα radiation

μ = 1.33 mm−1

T = 296 K

0.42 × 0.38 × 0.28 mm

Data collection

Bruker SMART CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.606, T max = 0.708

12941 measured reflections

2113 independent reflections

1911 reflections with I > 2σ(I)

R int = 0.021

Refinement

R[F 2 > 2σ(F 2)] = 0.016

wR(F 2) = 0.042

S = 1.05

2113 reflections

155 parameters

All H-atom parameters refined

Δρmax = 0.30 e Å−3

Δρmin = −0.22 e Å−3

Data collection: SMART (Bruker, 1997 ▶); cell refinement: SAINT (Bruker, 1997 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810005222/lh2993sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810005222/lh2993Isup2.hkl

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

[Cd(C8H8NO2)2(H2O)2]	F(000) = 452
Mr = 448.74	Dx = 1.760 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 8598 reflections
a = 9.6934 (4) Å	θ = 2.6–28.4°
b = 8.9082 (4) Å	µ = 1.33 mm−1
c = 10.1199 (5) Å	T = 296 K
β = 104.309 (2)°	Block, colourless
V = 846.75 (7) Å3	0.42 × 0.38 × 0.28 mm
Z = 2

Bruker SMART CCD diffractometer	2113 independent reflections
Radiation source: sealed tube	1911 reflections with I > 2σ(I)
graphite	Rint = 0.021
φ and ω scans	θmax = 28.4°, θmin = 3.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −12→12
Tmin = 0.606, Tmax = 0.708	k = −11→11
12941 measured reflections	l = −13→13

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)] = 0.016	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.042	All H-atom parameters refined
S = 1.05	w = 1/[σ2(Fo2) + (0.0233P)2 + 0.1949P] where P = (Fo2 + 2Fc2)/3
2113 reflections	(Δ/σ)max = 0.001
155 parameters	Δρmax = 0.30 e Å−3
0 restraints	Δρmin = −0.22 e Å−3

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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
Cd1	0.5000	0.0000	0.0000	0.02437 (5)
N1	0.28876 (11)	0.07564 (12)	0.05233 (11)	0.0301 (2)
O1	0.61972 (13)	0.02896 (15)	0.22844 (12)	0.0382 (2)
O2	0.21558 (10)	0.21211 (11)	0.63186 (10)	0.0359 (2)
O3	0.04577 (10)	0.26152 (10)	0.44405 (10)	0.0352 (2)
C1	0.20346 (15)	0.17483 (15)	−0.02640 (14)	0.0329 (3)
C2	0.07951 (16)	0.22538 (17)	0.00161 (16)	0.0379 (3)
C3	0.04061 (15)	0.16952 (16)	0.11451 (15)	0.0357 (3)
C4	0.12544 (13)	0.06336 (15)	0.19621 (13)	0.0284 (3)
C5	0.24972 (16)	0.02120 (15)	0.16092 (16)	0.0303 (3)
C6	0.08326 (19)	−0.01072 (15)	0.31409 (17)	0.0345 (3)
C7	0.17242 (17)	0.03087 (17)	0.45527 (15)	0.0325 (3)
C8	0.14245 (13)	0.18100 (13)	0.51422 (13)	0.0260 (2)
H1	0.2335 (18)	0.208 (2)	−0.1008 (18)	0.042 (4)*
H2	0.0224 (18)	0.296 (2)	−0.0590 (18)	0.043 (4)*
H3	−0.0467 (19)	0.199 (2)	0.1376 (18)	0.050 (5)*
H5	0.314 (2)	−0.048 (2)	0.2165 (19)	0.044 (5)*
H6A	−0.022 (2)	0.0146 (17)	0.302 (2)	0.045 (6)*
H6B	0.0908 (17)	−0.1217 (19)	0.3076 (17)	0.039 (4)*
H7A	0.274 (3)	0.037 (3)	0.460 (2)	0.059 (6)*
H7B	0.158 (2)	−0.041 (2)	0.525 (2)	0.045 (5)*
HO1A	0.673 (2)	0.105 (3)	0.217 (2)	0.066 (7)*
HO1B	0.672 (3)	−0.041 (3)	0.266 (3)	0.065 (7)*

	U11	U22	U33	U12	U13	U23
Cd1	0.02423 (8)	0.02733 (8)	0.02284 (8)	−0.00074 (4)	0.00826 (5)	−0.00185 (4)
N1	0.0303 (5)	0.0323 (6)	0.0310 (6)	0.0030 (4)	0.0137 (4)	0.0022 (4)
O1	0.0427 (6)	0.0401 (6)	0.0278 (5)	−0.0014 (5)	0.0011 (5)	−0.0019 (4)
O2	0.0375 (5)	0.0343 (5)	0.0338 (5)	0.0007 (4)	0.0047 (4)	−0.0022 (4)
O3	0.0369 (5)	0.0296 (5)	0.0372 (5)	0.0071 (4)	0.0055 (4)	−0.0010 (4)
C1	0.0388 (7)	0.0314 (6)	0.0303 (7)	0.0007 (5)	0.0120 (6)	0.0035 (5)
C2	0.0378 (7)	0.0357 (7)	0.0387 (8)	0.0090 (6)	0.0064 (6)	0.0053 (6)
C3	0.0293 (6)	0.0380 (7)	0.0413 (8)	0.0047 (5)	0.0119 (6)	−0.0040 (6)
C4	0.0309 (6)	0.0288 (6)	0.0281 (6)	−0.0039 (5)	0.0120 (5)	−0.0049 (5)
C5	0.0317 (7)	0.0316 (7)	0.0295 (7)	0.0043 (5)	0.0114 (6)	0.0036 (5)
C6	0.0407 (8)	0.0357 (8)	0.0318 (8)	−0.0082 (5)	0.0178 (6)	−0.0043 (5)
C7	0.0385 (8)	0.0323 (6)	0.0286 (7)	0.0063 (6)	0.0120 (6)	0.0010 (5)
C8	0.0265 (6)	0.0252 (6)	0.0294 (6)	−0.0013 (4)	0.0126 (5)	0.0024 (5)

Cd1—O3i	2.2704 (9)	C1—H1	0.919 (18)
Cd1—O3ii	2.2705 (9)	C2—C3	1.381 (2)
Cd1—O1	2.3306 (11)	C2—H2	0.954 (17)
Cd1—O1iii	2.3306 (11)	C3—C4	1.385 (2)
Cd1—N1iii	2.3374 (10)	C3—H3	0.969 (18)
Cd1—N1	2.3374 (10)	C4—C5	1.3902 (18)
N1—C1	1.3318 (17)	C4—C6	1.5055 (19)
N1—C5	1.3385 (18)	C5—H5	0.96 (2)
O1—HO1A	0.88 (2)	C6—C7	1.522 (2)
O1—HO1B	0.83 (3)	C6—H6A	1.03 (2)
O2—C8	1.2568 (15)	C6—H6B	0.995 (17)
O3—C8	1.2522 (15)	C7—C8	1.5213 (19)
O3—Cd1iv	2.2705 (9)	C7—H7A	0.98 (2)
C1—C2	1.3766 (19)	C7—H7B	0.99 (2)
O3i—Cd1—O3ii	180.0	C1—C2—H2	118.7 (11)
O3i—Cd1—O1	86.35 (4)	C3—C2—H2	122.4 (11)
O3ii—Cd1—O1	93.65 (4)	C2—C3—C4	119.78 (12)
O3i—Cd1—O1iii	93.65 (4)	C2—C3—H3	122.3 (11)
O3ii—Cd1—O1iii	86.35 (4)	C4—C3—H3	117.9 (11)
O1—Cd1—O1iii	180.00 (3)	C3—C4—C5	117.09 (12)
O3i—Cd1—N1iii	91.31 (4)	C3—C4—C6	122.34 (12)
O3ii—Cd1—N1iii	88.69 (4)	C5—C4—C6	120.49 (13)
O1—Cd1—N1iii	90.42 (4)	N1—C5—C4	123.49 (13)
O1iii—Cd1—N1iii	89.58 (4)	N1—C5—H5	116.2 (11)
O3i—Cd1—N1	88.69 (4)	C4—C5—H5	120.3 (11)
O3ii—Cd1—N1	91.31 (4)	C4—C6—C7	115.77 (12)
O1—Cd1—N1	89.58 (4)	C4—C6—H6A	105.5 (12)
O1iii—Cd1—N1	90.42 (4)	C7—C6—H6A	112.2 (13)
N1iii—Cd1—N1	180.00 (5)	C4—C6—H6B	110.2 (10)
C1—N1—C5	118.16 (11)	C7—C6—H6B	105.7 (9)
C1—N1—Cd1	120.32 (9)	H6A—C6—H6B	107.3 (13)
C5—N1—Cd1	121.52 (9)	C8—C7—C6	117.58 (12)
Cd1—O1—HO1A	97.1 (14)	C8—C7—H7A	102.6 (13)
Cd1—O1—HO1B	118.0 (18)	C6—C7—H7A	113.1 (14)
HO1A—O1—HO1B	109 (2)	C8—C7—H7B	102.8 (12)
C8—O3—Cd1iv	124.02 (8)	C6—C7—H7B	111.3 (12)
N1—C1—C2	122.56 (13)	H7A—C7—H7B	108.6 (17)
N1—C1—H1	115.2 (11)	O3—C8—O2	125.36 (12)
C2—C1—H1	122.3 (11)	O3—C8—C7	118.03 (12)
C1—C2—C3	118.88 (13)	O2—C8—C7	116.59 (11)

D—H···A	D—H	H···A	D···A	D—H···A
O1—HO1B···O2v	0.83 (3)	2.01 (3)	2.8361 (16)	174 (2)
O1—HO1A···O2ii	0.88 (2)	1.94 (2)	2.7546 (17)	155 (2)

Cd1—O3i	2.2704 (9)
Cd1—O1	2.3306 (11)
Cd1—N1	2.3374 (10)

O3i—Cd1—O1	86.35 (4)
O3i—Cd1—N1ii	91.31 (4)
O1—Cd1—N1	89.58 (4)

Symmetry codes: (i) ; (ii) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—HO1B⋯O2iii	0.83 (3)	2.01 (3)	2.8361 (16)	174 (2)
O1—HO1A⋯O2iv	0.88 (2)	1.94 (2)	2.7546 (17)	155 (2)

Symmetry codes: (iii) ; (iv) .