Poly[μ(2)-aqua-aqua-μ(4)-pyridine-2,4-dicarboxyl-ato-strontium].

In the title polymeric complex, [Sr(C(7)H(3)NO(4))(H(2)O)(2)](n), the Sr(II) atom is eight-coordinated by four O atoms and one N atom of four pyridine-2,4-dicarboxyl-ate (py-2,4-dc) ligands and three O atoms of three coordinated water mol-ecules in a dodeca-hedral geometry. These units are connected via the carboxyl-ate O atoms and water mol-ecules, building polymeric layers parallel to (100). In the crystal structure, non-covalent inter-actions consisting of O-H⋯O hydrogen bonds and π-π stacking inter-actions [centroid-centroid distances = 3.862 (17) and 3.749 (17) Å] connect the various components, forming a three-dimensional structure.

Related literature

For related structures, see: Aghabozorg, Manteghi & Sheshmani (2008 ▶); Aghabozorg, Nemati et al. (2008 ▶); Liang (2008 ▶); Soleimannejad et al. (2007 ▶).

Experimental

Crystal data

[Sr(C7H3NO4)(H2O)2]

M = 288.76

Monoclinic,

a = 6.8860 (5) Å

b = 19.7801 (13) Å

c = 6.5642 (4) Å

β = 91.892 (5)°

V = 893.59 (10) Å3

Z = 4

Mo Kα radiation

μ = 6.04 mm−1

T = 296 K

0.08 × 0.05 × 0.05 mm

Data collection

Bruker SMART 1000 diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.560, T max = 0.752

6370 measured reflections

2321 independent reflections

1795 reflections with I > 2σ(I)

R int = 0.042

Refinement

R[F 2 > 2σ(F 2)] = 0.030

wR(F 2) = 0.070

S = 1.03

2321 reflections

136 parameters

H-atom parameters constrained

Δρmax = 0.76 e Å−3

Δρmin = −0.59 e Å−3

Data collection: SMART (Bruker, 1998 ▶); cell refinement: SAINT (Bruker, 1998 ▶); 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 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S160053680902683X/pv2167sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053680902683X/pv2167Isup2.hkl

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

[Sr(C7H3NO4)(H2O)2]	F(000) = 568
Mr = 288.76	Dx = 2.146 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 1756 reflections
a = 6.8860 (5) Å	θ = 4.4–28.4°
b = 19.7801 (13) Å	µ = 6.04 mm−1
c = 6.5642 (4) Å	T = 296 K
β = 91.892 (5)°	Plate, colourless
V = 893.59 (10) Å3	0.08 × 0.05 × 0.05 mm
Z = 4

Bruker SMART 1000 diffractometer	2321 independent reflections
Radiation source: fine-focus sealed tube	1795 reflections with I > 2σ(I)
graphite	Rint = 0.042
Detector resolution: 100 pixels mm-1	θmax = 28.9°, θmin = 4.1°
ω scans	h = −9→9
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	k = −22→26
Tmin = 0.560, Tmax = 0.752	l = −8→8
6370 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)] = 0.030	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.070	H-atom parameters constrained
S = 1.03	w = 1/[σ2(Fo2) + (0.0326P)2 + 0.0723P] where P = (Fo2 + 2Fc2)/3
2321 reflections	(Δ/σ)max = 0.001
136 parameters	Δρmax = 0.76 e Å−3
0 restraints	Δρmin = −0.58 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 > 2sigma(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
Sr1	1.41849 (4)	0.689568 (14)	−0.36705 (4)	0.00741 (8)
N1	1.2631 (4)	0.57709 (13)	−0.2058 (4)	0.0096 (5)
O1	1.3664 (3)	0.68543 (10)	0.0213 (3)	0.0094 (4)
O2	1.3348 (3)	0.62646 (11)	0.3099 (3)	0.0127 (5)
O3	1.2609 (3)	0.37523 (11)	0.2554 (3)	0.0112 (5)
O4	1.1524 (3)	0.33289 (11)	−0.0422 (3)	0.0103 (4)
O5	1.6546 (3)	0.72846 (10)	−0.6459 (3)	0.0103 (4)
H5B	1.7139	0.7007	−0.7206	0.012*
H5A	1.7156	0.7648	−0.6172	0.012*
O6	1.0607 (3)	0.71224 (12)	−0.3855 (4)	0.0172 (5)
H6B	0.9789	0.6826	−0.3505	0.021*
H6A	1.0167	0.7507	−0.3525	0.021*
C1	1.3325 (4)	0.63210 (15)	0.1201 (5)	0.0088 (6)
C2	1.2865 (4)	0.56895 (15)	−0.0027 (4)	0.0085 (6)
C3	1.2705 (4)	0.50621 (15)	0.0904 (5)	0.0085 (6)
H3	1.2910	0.5020	0.2306	0.010*
C4	1.2238 (4)	0.45000 (15)	−0.0267 (5)	0.0084 (6)
C5	1.2108 (4)	0.38080 (15)	0.0705 (5)	0.0092 (6)
C6	1.1917 (5)	0.45863 (15)	−0.2358 (5)	0.0106 (6)
H6	1.1553	0.4224	−0.3187	0.013*
C7	1.2152 (5)	0.52224 (16)	−0.3165 (5)	0.0124 (6)
H7	1.1968	0.5275	−0.4566	0.015*

	U11	U22	U33	U12	U13	U23
Sr1	0.01054 (14)	0.00559 (13)	0.00613 (13)	−0.00023 (12)	0.00104 (9)	0.00023 (12)
N1	0.0119 (13)	0.0086 (13)	0.0083 (12)	−0.0014 (10)	0.0002 (10)	0.0000 (10)
O1	0.0152 (11)	0.0050 (10)	0.0082 (10)	−0.0018 (9)	0.0013 (8)	−0.0012 (9)
O2	0.0198 (12)	0.0098 (11)	0.0086 (11)	−0.0035 (9)	0.0029 (9)	−0.0005 (9)
O3	0.0152 (12)	0.0079 (11)	0.0107 (11)	0.0003 (9)	0.0013 (9)	0.0028 (9)
O4	0.0132 (11)	0.0072 (10)	0.0107 (11)	−0.0008 (8)	0.0013 (9)	−0.0009 (8)
O5	0.0139 (11)	0.0066 (10)	0.0104 (11)	−0.0004 (9)	0.0015 (9)	−0.0028 (8)
O6	0.0136 (12)	0.0105 (11)	0.0277 (14)	0.0013 (9)	0.0050 (10)	0.0045 (10)
C1	0.0102 (15)	0.0073 (14)	0.0089 (14)	0.0007 (12)	0.0013 (11)	−0.0030 (12)
C2	0.0086 (14)	0.0099 (14)	0.0071 (14)	−0.0008 (12)	0.0025 (11)	−0.0002 (12)
C3	0.0107 (15)	0.0082 (14)	0.0065 (14)	0.0010 (12)	0.0010 (11)	0.0018 (11)
C4	0.0083 (14)	0.0044 (13)	0.0128 (15)	−0.0004 (11)	0.0025 (11)	0.0008 (11)
C5	0.0071 (14)	0.0078 (14)	0.0131 (15)	0.0026 (11)	0.0065 (11)	0.0029 (12)
C6	0.0136 (15)	0.0076 (15)	0.0108 (15)	0.0006 (12)	0.0015 (12)	−0.0025 (12)
C7	0.0201 (17)	0.0097 (15)	0.0073 (15)	0.0001 (13)	0.0001 (12)	−0.0003 (12)

Sr1—O6	2.503 (2)	O4—C5	1.260 (4)
Sr1—O2i	2.511 (2)	O5—Sr1ii	2.688 (2)
Sr1—O1	2.588 (2)	O5—H5B	0.8500
Sr1—O1ii	2.600 (2)	O5—H5A	0.8501
Sr1—O5	2.604 (2)	O6—H6B	0.8500
Sr1—O3iii	2.636 (2)	O6—H6A	0.8500
Sr1—O5iv	2.688 (2)	C1—C2	1.514 (4)
Sr1—N1	2.700 (3)	C2—C3	1.389 (4)
N1—C7	1.341 (4)	C3—C4	1.384 (4)
N1—C2	1.347 (4)	C3—H3	0.9300
O1—C1	1.264 (3)	C4—C6	1.394 (4)
O1—Sr1iv	2.600 (2)	C4—C5	1.514 (4)
O2—C1	1.250 (4)	C6—C7	1.377 (4)
O2—Sr1v	2.511 (2)	C6—H6	0.9300
O3—C5	1.256 (4)	C7—H7	0.9300
O3—Sr1iii	2.636 (2)
O6—Sr1—O2i	81.38 (8)	O5iv—Sr1—Sr1ii	93.74 (4)
O6—Sr1—O1	83.40 (7)	N1—Sr1—Sr1ii	144.35 (5)
O2i—Sr1—O1	141.34 (7)	Sr1iv—Sr1—Sr1ii	107.860 (13)
O6—Sr1—O1ii	71.92 (7)	C7—N1—C2	117.3 (3)
O2i—Sr1—O1ii	102.07 (7)	C7—N1—Sr1	123.20 (19)
O1—Sr1—O1ii	106.58 (6)	C2—N1—Sr1	116.78 (19)
O6—Sr1—O5	123.32 (7)	C1—O1—Sr1	124.46 (18)
O2i—Sr1—O5	71.61 (7)	C1—O1—Sr1iv	132.46 (18)
O1—Sr1—O5	144.29 (7)	Sr1—O1—Sr1iv	103.01 (7)
O1ii—Sr1—O5	66.71 (7)	C1—O2—Sr1v	142.38 (19)
O6—Sr1—O3iii	156.15 (7)	C5—O3—Sr1iii	120.82 (19)
O2i—Sr1—O3iii	99.20 (7)	Sr1—O5—Sr1ii	100.21 (7)
O1—Sr1—O3iii	81.53 (7)	Sr1—O5—H5B	122.5
O1ii—Sr1—O3iii	130.33 (7)	Sr1ii—O5—H5B	111.9
O5—Sr1—O3iii	78.61 (7)	Sr1—O5—H5A	114.2
O6—Sr1—O5iv	119.66 (7)	Sr1ii—O5—H5A	84.0
O2i—Sr1—O5iv	150.91 (7)	H5B—O5—H5A	115.5
O1—Sr1—O5iv	65.67 (6)	Sr1—O6—H6B	121.5
O1ii—Sr1—O5iv	69.75 (6)	Sr1—O6—H6A	120.4
O5—Sr1—O5iv	79.68 (5)	H6B—O6—H6A	107.7
O3iii—Sr1—O5iv	69.94 (7)	O2—C1—O1	126.1 (3)
O6—Sr1—N1	76.37 (8)	O2—C1—C2	116.9 (3)
O2i—Sr1—N1	80.71 (7)	O1—C1—C2	117.0 (2)
O1—Sr1—N1	61.18 (7)	N1—C2—C3	122.2 (3)
O1ii—Sr1—N1	147.27 (7)	N1—C2—C1	116.4 (3)
O5—Sr1—N1	141.60 (7)	C3—C2—C1	121.4 (3)
O3iii—Sr1—N1	80.18 (7)	C4—C3—C2	119.6 (3)
O5iv—Sr1—N1	121.72 (7)	C4—C3—H3	120.2
O6—Sr1—Sr1iv	84.69 (6)	C2—C3—H3	120.2
O2i—Sr1—Sr1iv	165.72 (5)	C3—C4—C6	118.4 (3)
O1—Sr1—Sr1iv	38.61 (4)	C3—C4—C5	120.5 (3)
O1ii—Sr1—Sr1iv	70.38 (5)	C6—C4—C5	121.1 (3)
O5—Sr1—Sr1iv	114.26 (5)	O3—C5—O4	125.0 (3)
O3iii—Sr1—Sr1iv	94.81 (5)	O3—C5—C4	117.9 (3)
O5iv—Sr1—Sr1iv	39.14 (5)	O4—C5—C4	117.0 (3)
N1—Sr1—Sr1iv	99.07 (5)	C7—C6—C4	118.3 (3)
O6—Sr1—Sr1ii	83.20 (5)	C7—C6—H6	120.9
O2i—Sr1—Sr1ii	67.43 (5)	C4—C6—H6	120.9
O1—Sr1—Sr1ii	144.96 (5)	N1—C7—C6	124.1 (3)
O1ii—Sr1—Sr1ii	38.38 (5)	N1—C7—H7	117.9
O5—Sr1—Sr1ii	40.65 (5)	C6—C7—H7	117.9
O3iii—Sr1—Sr1ii	119.25 (5)
O6—Sr1—N1—C7	91.7 (2)	O2i—Sr1—O5—Sr1ii	76.49 (7)
O2i—Sr1—N1—C7	8.4 (2)	O1—Sr1—O5—Sr1ii	−122.21 (10)
O1—Sr1—N1—C7	−178.4 (3)	O1ii—Sr1—O5—Sr1ii	−36.03 (6)
O1ii—Sr1—N1—C7	106.3 (2)	O3iii—Sr1—O5—Sr1ii	−179.69 (8)
O5—Sr1—N1—C7	−35.5 (3)	O5iv—Sr1—O5—Sr1ii	−108.29 (10)
O3iii—Sr1—N1—C7	−92.7 (2)	N1—Sr1—O5—Sr1ii	122.61 (10)
O5iv—Sr1—N1—C7	−151.7 (2)	Sr1iv—Sr1—O5—Sr1ii	−89.51 (6)
Sr1iv—Sr1—N1—C7	173.9 (2)	Sr1v—O2—C1—O1	−7.3 (6)
Sr1ii—Sr1—N1—C7	34.8 (3)	Sr1v—O2—C1—C2	172.1 (2)
O6—Sr1—N1—C2	−107.5 (2)	Sr1—O1—C1—O2	168.8 (2)
O2i—Sr1—N1—C2	169.2 (2)	Sr1iv—O1—C1—O2	−7.8 (5)
O1—Sr1—N1—C2	−17.58 (19)	Sr1—O1—C1—C2	−10.6 (4)
O1ii—Sr1—N1—C2	−92.9 (2)	Sr1iv—O1—C1—C2	172.84 (18)
O5—Sr1—N1—C2	125.3 (2)	C7—N1—C2—C3	2.7 (4)
O3iii—Sr1—N1—C2	68.1 (2)	Sr1—N1—C2—C3	−159.3 (2)
O5iv—Sr1—N1—C2	9.2 (2)	C7—N1—C2—C1	−177.6 (3)
Sr1iv—Sr1—N1—C2	−25.3 (2)	Sr1—N1—C2—C1	20.4 (3)
Sr1ii—Sr1—N1—C2	−164.33 (16)	O2—C1—C2—N1	172.9 (3)
O6—Sr1—O1—C1	92.9 (2)	O1—C1—C2—N1	−7.7 (4)
O2i—Sr1—O1—C1	25.6 (3)	O2—C1—C2—C3	−7.4 (4)
O1ii—Sr1—O1—C1	161.74 (19)	O1—C1—C2—C3	172.1 (3)
O5—Sr1—O1—C1	−125.3 (2)	N1—C2—C3—C4	−1.8 (4)
O3iii—Sr1—O1—C1	−68.6 (2)	C1—C2—C3—C4	178.5 (3)
O5iv—Sr1—O1—C1	−140.3 (2)	C2—C3—C4—C6	−0.8 (4)
N1—Sr1—O1—C1	14.8 (2)	C2—C3—C4—C5	178.4 (3)
Sr1iv—Sr1—O1—C1	−177.4 (3)	Sr1iii—O3—C5—O4	69.3 (4)
Sr1ii—Sr1—O1—C1	161.01 (19)	Sr1iii—O3—C5—C4	−109.7 (2)
O6—Sr1—O1—Sr1iv	−89.74 (8)	C3—C4—C5—O3	−6.4 (4)
O2i—Sr1—O1—Sr1iv	−157.03 (9)	C6—C4—C5—O3	172.7 (3)
O1ii—Sr1—O1—Sr1iv	−20.87 (12)	C3—C4—C5—O4	174.4 (3)
O5—Sr1—O1—Sr1iv	52.12 (14)	C6—C4—C5—O4	−6.4 (4)
O3iii—Sr1—O1—Sr1iv	108.81 (8)	C3—C4—C6—C7	2.4 (4)
O5iv—Sr1—O1—Sr1iv	37.06 (7)	C5—C4—C6—C7	−176.8 (3)
N1—Sr1—O1—Sr1iv	−167.79 (10)	C2—N1—C7—C6	−1.0 (5)
Sr1ii—Sr1—O1—Sr1iv	−21.60 (12)	Sr1—N1—C7—C6	159.8 (2)
O6—Sr1—O5—Sr1ii	10.55 (10)	C4—C6—C7—N1	−1.6 (5)

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5B···O4vi	0.85	1.95	2.759 (3)	158
O5—H5A···O4vii	0.85	1.92	2.730 (3)	160
O5—H5A···O3vii	0.85	2.37	3.051 (3)	137
O6—H6B···O3viii	0.85	2.12	2.958 (3)	169
O6—H6A···O4ix	0.85	2.10	2.833 (3)	144

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H5B⋯O4i	0.85	1.95	2.759 (3)	158
O5—H5A⋯O4ii	0.85	1.92	2.730 (3)	160
O5—H5A⋯O3ii	0.85	2.37	3.051 (3)	137
O6—H6B⋯O3iii	0.85	2.12	2.958 (3)	169
O6—H6A⋯O4iv	0.85	2.10	2.833 (3)	144

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .