Poly[diaqua-(μ(5)-pyridine-3,5-dicarboxyl-ato)strontium].

In the structure of the title compound, [Sr(C(7)H(3)NO(4))(H(2)O)(2)](n), the Sr(II) cation is eight-coordinated in form of a distorted dodeca-hedron by two water O atoms and by five O atoms and one N atom from five pyridine-3,5-dicarboxyl-ate anions. The bridging mode of the anions leads to the formation of a layered network parallel to (100). O-H⋯O hydrogen bonding between the coordinating water mol-ecules and the carboxyl-ate groups of adjacent layers consolidates the crystal packing. Weak C-H⋯O inter-actions are also observed.

Related literature

For related structures with pyridine-3,5-dicarboxyl­ato ligands, see: Aghabozorg et al. (2008 ▶); Dang et al. (2010 ▶); Du et al. (2009 ▶); Lv et al. (2010 ▶); Wu et al. (2008 ▶); Yao et al. (2010 ▶).

Experimental

Crystal data

[Sr(n class="CellLine">C7H3NO4)(H2O)2]

M = 288.76

Triclinic,

a = 7.9098 (4) Å

b = 8.0028 (4) Å

c = 8.0864 (5) Å

α = 88.620 (2)°

β = 71.270 (2)°

γ = 72.030 (2)°

V = 459.52 (4) Å3

Z = 2

Mo Kα radiation

μ = 5.88 mm−1

T = 293 K

0.30 × 0.17 × 0.16 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T min = 0.272, T max = 0.453

8322 measured reflections

2305 independent reflections

2226 reflections with I > 2σ(I)

R int = 0.022

Refinement

R[F 2 > 2σ(F 2)] = 0.017

wR(F 2) = 0.046

S = 1.08

2305 reflections

136 parameters

H-atom parameters constrained

Δρmax = 0.38 e Å−3

Δρmin = −0.51 e Å−3

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAIn class="Chemical">NT (Bruker, 2005 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: XP in SHELXTL (Sheldrick, 2008 ▶) and DIAMOND (Brandenburg, 2012 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812023379/wm2630sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812023379/wm2630Isup2.hkl

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

[Sr(C7H3NO4)(H2O)2]	Z = 2
Mr = 288.76	F(000) = 284
Triclinic, P1	Dx = 2.087 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.9098 (4) Å	Cell parameters from 3510 reflections
b = 8.0028 (4) Å	θ = 2.7–25.3°
c = 8.0864 (5) Å	µ = 5.88 mm−1
α = 88.620 (2)°	T = 293 K
β = 71.270 (2)°	Block, colourless
γ = 72.030 (2)°	0.30 × 0.17 × 0.16 mm
V = 459.52 (4) Å3

Bruker APEXII CCD diffractometer	2305 independent reflections
Radiation source: fine-focus sealed tube	2226 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.022
φ and ω scans	θmax = 28.4°, θmin = 2.7°
Absorption correction: multi-scan (SADABS; Bruker, 2005)	h = −10→10
Tmin = 0.272, Tmax = 0.453	k = −10→10
8322 measured reflections	l = −9→10

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)] = 0.017	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.046	H-atom parameters constrained
S = 1.08	w = 1/[σ2(Fo2) + (0.0269P)2 + 0.1887P] where P = (Fo2 + 2Fc2)/3
2305 reflections	(Δ/σ)max = 0.001
136 parameters	Δρmax = 0.38 e Å−3
0 restraints	Δρmin = −0.51 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
Sr1	0.685514 (18)	0.654700 (16)	0.373999 (17)	0.01302 (5)
O1	0.53412 (17)	0.40183 (16)	0.33347 (15)	0.0220 (2)
O3	0.63315 (17)	0.12206 (15)	−0.40559 (15)	0.0206 (2)
O2	0.7094 (2)	0.47815 (16)	0.09101 (16)	0.0260 (3)
O4	0.76724 (18)	−0.16816 (16)	−0.41598 (16)	0.0215 (2)
O5	0.85222 (17)	0.35498 (17)	0.47402 (19)	0.0288 (3)
O6	1.03912 (18)	0.5746 (2)	0.23839 (17)	0.0303 (3)
N1	0.7457 (2)	−0.11960 (18)	0.10565 (18)	0.0204 (3)
C7	0.7063 (2)	−0.0153 (2)	−0.34150 (19)	0.0143 (3)
C4	0.7184 (2)	0.0071 (2)	−0.16144 (19)	0.0146 (3)
C3	0.6819 (2)	0.1745 (2)	−0.0860 (2)	0.0150 (3)
H3	0.6607	0.2725	−0.1498	0.018*
C2	0.6775 (2)	0.1931 (2)	0.0855 (2)	0.0148 (3)
C5	0.7511 (2)	−0.1354 (2)	−0.0614 (2)	0.0182 (3)
H5	0.7781	−0.2475	−0.1125	0.022*
C6	0.6365 (2)	0.3698 (2)	0.1760 (2)	0.0155 (3)
C1	0.7093 (2)	0.0429 (2)	0.1755 (2)	0.0189 (3)
H1	0.7051	0.0559	0.2909	0.023*
H6A	1.1093	0.5659	0.1327	0.028*
H5A	0.9661	0.2895	0.4265	0.028*
H5B	0.7950	0.2793	0.4868	0.028*
H6B	1.0903	0.5704	0.3176	0.028*

	U11	U22	U33	U12	U13	U23
Sr1	0.01678 (8)	0.01181 (8)	0.01109 (8)	−0.00511 (5)	−0.00483 (5)	0.00017 (5)
O1	0.0290 (6)	0.0226 (6)	0.0127 (5)	−0.0120 (5)	−0.0006 (5)	−0.0034 (4)
O3	0.0265 (6)	0.0195 (6)	0.0153 (5)	−0.0035 (5)	−0.0100 (5)	0.0024 (4)
O2	0.0417 (8)	0.0208 (6)	0.0155 (6)	−0.0187 (5)	−0.0006 (5)	−0.0019 (5)
O4	0.0266 (6)	0.0181 (6)	0.0196 (6)	−0.0042 (5)	−0.0097 (5)	−0.0059 (5)
O5	0.0194 (6)	0.0245 (6)	0.0418 (8)	−0.0066 (5)	−0.0101 (6)	0.0104 (6)
O6	0.0222 (6)	0.0457 (8)	0.0198 (6)	−0.0126 (6)	−0.0007 (5)	0.0007 (6)
N1	0.0317 (8)	0.0162 (6)	0.0153 (6)	−0.0076 (5)	−0.0104 (6)	0.0037 (5)
C7	0.0158 (7)	0.0163 (7)	0.0110 (7)	−0.0058 (5)	−0.0040 (5)	−0.0006 (5)
C4	0.0177 (7)	0.0141 (7)	0.0120 (7)	−0.0048 (5)	−0.0052 (5)	−0.0009 (5)
C3	0.0202 (7)	0.0128 (7)	0.0131 (7)	−0.0065 (5)	−0.0056 (5)	0.0013 (5)
C2	0.0195 (7)	0.0147 (7)	0.0117 (7)	−0.0077 (5)	−0.0044 (5)	−0.0016 (5)
C5	0.0268 (8)	0.0127 (7)	0.0161 (7)	−0.0060 (6)	−0.0084 (6)	−0.0004 (6)
C6	0.0201 (7)	0.0156 (7)	0.0125 (7)	−0.0070 (6)	−0.0063 (6)	−0.0014 (6)
C1	0.0273 (8)	0.0196 (8)	0.0121 (7)	−0.0093 (6)	−0.0079 (6)	0.0016 (6)

Sr1—O6	2.5287 (13)	O5—H5A	0.8542
Sr1—O3i	2.5377 (12)	O5—H5B	0.8477
Sr1—O1ii	2.5715 (12)	O6—H6A	0.8468
Sr1—O4iii	2.5881 (12)	O6—H6B	0.8563
Sr1—O5	2.6050 (13)	N1—C1	1.339 (2)
Sr1—O2	2.6423 (12)	N1—C5	1.345 (2)
Sr1—O1	2.7232 (12)	N1—Sr1vi	2.8065 (14)
Sr1—N1iv	2.8064 (14)	C7—C4	1.508 (2)
Sr1—C6	3.0051 (15)	C4—C5	1.390 (2)
Sr1—H6B	2.9429	C4—C3	1.391 (2)
O1—C6	1.2520 (19)	C3—C2	1.387 (2)
O1—Sr1ii	2.5715 (12)	C3—H3	0.9300
O3—C7	1.2590 (19)	C2—C1	1.388 (2)
O3—Sr1i	2.5377 (12)	C2—C6	1.502 (2)
O2—C6	1.258 (2)	C5—H5	0.9300
O4—C7	1.2554 (19)	C1—H1	0.9300
O4—Sr1v	2.5881 (12)
O6—Sr1—O3i	146.80 (4)	O1ii—Sr1—H6B	119.9
O6—Sr1—O1ii	133.77 (4)	O4iii—Sr1—H6B	65.0
O3i—Sr1—O1ii	75.71 (4)	O5—Sr1—H6B	63.0
O6—Sr1—O4iii	77.95 (4)	O2—Sr1—H6B	98.6
O3i—Sr1—O4iii	95.67 (4)	O1—Sr1—H6B	121.6
O1ii—Sr1—O4iii	81.28 (4)	N1iv—Sr1—H6B	85.2
O6—Sr1—O5	69.37 (4)	C6—Sr1—H6B	107.7
O3i—Sr1—O5	143.83 (4)	Sr1ii—Sr1—H6B	128.1
O1ii—Sr1—O5	70.70 (4)	C6—O1—Sr1ii	156.53 (11)
O4iii—Sr1—O5	92.21 (4)	C6—O1—Sr1	90.40 (9)
O6—Sr1—O2	84.52 (4)	Sr1ii—O1—Sr1	112.09 (4)
O3i—Sr1—O2	95.32 (4)	C7—O3—Sr1i	140.72 (10)
O1ii—Sr1—O2	116.27 (4)	C6—O2—Sr1	94.03 (9)
O4iii—Sr1—O2	161.21 (4)	C7—O4—Sr1v	137.91 (10)
O5—Sr1—O2	87.86 (4)	Sr1—O5—H5A	127.0
O6—Sr1—O1	115.98 (4)	Sr1—O5—H5B	115.1
O3i—Sr1—O1	86.90 (4)	H5A—O5—H5B	100.7
O1ii—Sr1—O1	67.91 (4)	Sr1—O6—H6A	131.4
O4iii—Sr1—O1	147.46 (4)	Sr1—O6—H6B	110.7
O5—Sr1—O1	68.48 (4)	H6A—O6—H6B	117.3
O2—Sr1—O1	48.48 (4)	C1—N1—C5	117.16 (14)
O6—Sr1—N1iv	74.58 (5)	C1—N1—Sr1vi	109.60 (10)
O3i—Sr1—N1iv	73.32 (4)	C5—N1—Sr1vi	130.26 (11)
O1ii—Sr1—N1iv	147.89 (4)	O4—C7—O3	124.65 (14)
O4iii—Sr1—N1iv	93.47 (4)	O4—C7—C4	118.35 (14)
O5—Sr1—N1iv	141.38 (4)	O3—C7—C4	117.00 (13)
O2—Sr1—N1iv	75.20 (4)	C5—C4—C3	118.26 (14)
O1—Sr1—N1iv	118.12 (4)	C5—C4—C7	121.27 (14)
O6—Sr1—C6	97.37 (4)	C3—C4—C7	120.27 (13)
O3i—Sr1—C6	95.75 (4)	C2—C3—C4	119.12 (14)
O1ii—Sr1—C6	92.37 (4)	C2—C3—H3	120.4
O4iii—Sr1—C6	165.14 (4)	C4—C3—H3	120.4
O5—Sr1—C6	72.98 (4)	C3—C2—C1	118.28 (14)
O2—Sr1—C6	24.68 (4)	C3—C2—C6	122.02 (14)
O1—Sr1—C6	24.62 (4)	C1—C2—C6	119.69 (13)
N1iv—Sr1—C6	98.90 (4)	N1—C5—C4	123.41 (14)
O6—Sr1—Sr1ii	132.57 (3)	N1—C5—H5	118.3
O3i—Sr1—Sr1ii	79.75 (3)	C4—C5—H5	118.3
O1ii—Sr1—Sr1ii	35.06 (3)	O1—C6—O2	122.85 (14)
O4iii—Sr1—Sr1ii	115.72 (3)	O1—C6—C2	118.69 (14)
O5—Sr1—Sr1ii	65.11 (3)	O2—C6—C2	118.45 (14)
O2—Sr1—Sr1ii	81.27 (3)	O1—C6—Sr1	64.98 (8)
O1—Sr1—Sr1ii	32.85 (2)	O2—C6—Sr1	61.29 (8)
N1iv—Sr1—Sr1ii	142.01 (3)	C2—C6—Sr1	159.61 (11)
C6—Sr1—Sr1ii	57.36 (3)	N1—C1—C2	123.75 (14)
O6—Sr1—H6B	15.8	N1—C1—H1	118.1
O3i—Sr1—H6B	150.4	C2—C1—H1	118.1
O6—Sr1—O1—C6	−43.90 (11)	Sr1—O1—C6—O2	−21.19 (17)
O3i—Sr1—O1—C6	111.03 (10)	Sr1ii—O1—C6—C2	−6.4 (4)
O1ii—Sr1—O1—C6	−173.14 (12)	Sr1—O1—C6—C2	157.48 (13)
O4iii—Sr1—O1—C6	−153.28 (9)	Sr1ii—O1—C6—Sr1	−163.9 (3)
O5—Sr1—O1—C6	−96.05 (10)	Sr1—O2—C6—O1	21.92 (17)
O2—Sr1—O1—C6	11.13 (9)	Sr1—O2—C6—C2	−156.75 (12)
N1iv—Sr1—O1—C6	41.81 (11)	C3—C2—C6—O1	139.97 (16)
Sr1ii—Sr1—O1—C6	−173.14 (12)	C1—C2—C6—O1	−39.0 (2)
O6—Sr1—O1—Sr1ii	129.25 (5)	C3—C2—C6—O2	−41.3 (2)
O3i—Sr1—O1—Sr1ii	−75.83 (5)	C1—C2—C6—O2	139.73 (16)
O1ii—Sr1—O1—Sr1ii	0.0	C3—C2—C6—Sr1	−125.0 (3)
O4iii—Sr1—O1—Sr1ii	19.86 (10)	C1—C2—C6—Sr1	56.1 (4)
O5—Sr1—O1—Sr1ii	77.09 (5)	O6—Sr1—C6—O1	141.06 (10)
O2—Sr1—O1—Sr1ii	−175.73 (8)	O3i—Sr1—C6—O1	−69.51 (10)
N1iv—Sr1—O1—Sr1ii	−145.05 (5)	O1ii—Sr1—C6—O1	6.36 (11)
C6—Sr1—O1—Sr1ii	173.14 (12)	O4iii—Sr1—C6—O1	70.52 (19)
O6—Sr1—O2—C6	121.16 (11)	O5—Sr1—C6—O1	75.34 (10)
O3i—Sr1—O2—C6	−92.19 (10)	O2—Sr1—C6—O1	−159.75 (16)
O1ii—Sr1—O2—C6	−15.52 (11)	N1iv—Sr1—C6—O1	−143.48 (9)
O4iii—Sr1—O2—C6	142.24 (12)	Sr1ii—Sr1—C6—O1	4.41 (8)
O5—Sr1—O2—C6	51.69 (10)	O6—Sr1—C6—O2	−59.19 (11)
O1—Sr1—O2—C6	−11.10 (9)	O3i—Sr1—C6—O2	90.24 (10)
N1iv—Sr1—O2—C6	−163.36 (11)	O1ii—Sr1—C6—O2	166.11 (10)
Sr1ii—Sr1—O2—C6	−13.45 (10)	O4iii—Sr1—C6—O2	−129.73 (16)
Sr1v—O4—C7—O3	−33.4 (3)	O5—Sr1—C6—O2	−124.91 (11)
Sr1v—O4—C7—C4	145.77 (12)	O1—Sr1—C6—O2	159.75 (16)
Sr1i—O3—C7—O4	105.41 (18)	N1iv—Sr1—C6—O2	16.27 (11)
Sr1i—O3—C7—C4	−73.8 (2)	Sr1ii—Sr1—C6—O2	164.16 (11)
O4—C7—C4—C5	−15.8 (2)	O6—Sr1—C6—C2	35.7 (3)
O3—C7—C4—C5	163.49 (15)	O3i—Sr1—C6—C2	−174.9 (3)
O4—C7—C4—C3	169.42 (14)	O1ii—Sr1—C6—C2	−99.0 (3)
O3—C7—C4—C3	−11.3 (2)	O4iii—Sr1—C6—C2	−34.8 (4)
C5—C4—C3—C2	−0.7 (2)	O5—Sr1—C6—C2	−30.0 (3)
C7—C4—C3—C2	174.30 (14)	O2—Sr1—C6—C2	94.9 (3)
C4—C3—C2—C1	−0.2 (2)	O1—Sr1—C6—C2	−105.4 (3)
C4—C3—C2—C6	−179.19 (14)	N1iv—Sr1—C6—C2	111.2 (3)
C1—N1—C5—C4	−1.0 (3)	Sr1ii—Sr1—C6—C2	−100.9 (3)
Sr1vi—N1—C5—C4	157.24 (12)	C5—N1—C1—C2	0.0 (3)
C3—C4—C5—N1	1.3 (2)	Sr1vi—N1—C1—C2	−162.51 (13)
C7—C4—C5—N1	−173.61 (15)	C3—C2—C1—N1	0.6 (2)
Sr1ii—O1—C6—O2	174.94 (19)	C6—C2—C1—N1	179.60 (15)

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5A···O4vii	0.85	2.01	2.8046 (17)	155
O5—H5B···O3viii	0.85	2.05	2.8718 (18)	163
O6—H6A···O2ix	0.85	1.87	2.7135 (17)	172
O6—H6B···O5x	0.86	2.03	2.848 (2)	160
C1—H1···O3viii	0.93	2.37	3.286 (2)	169

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H5A⋯O4i	0.85	2.01	2.8046 (17)	155
O5—H5B⋯O3ii	0.85	2.05	2.8718 (18)	163
O6—H6A⋯O2iii	0.85	1.87	2.7135 (17)	172
O6—H6B⋯O5iv	0.86	2.03	2.848 (2)	160
C1—H1⋯O3ii	0.93	2.37	3.286 (2)	169

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