Poly[tetra­aqua-μ3-pyridine-3,5-dicarboxyl­ato-strontium(II)]

Aghabozorg, H.; Nemati, A.; Derikvand, Z.; Ghadermazi, M.; Daneshvar, S.

doi:10.1107/S1600536808001335

metal-organic compounds

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ISSN: 2056-9890

Volume 64| Part 2| February 2008| Page m376

doi:10.1107/S1600536808001335

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Poly[tetraaqua-μ₃-pyridine-3,5-dicarboxylato-strontium(II)]

Hossein Aghabozorg,^a ^* Andya Nemati,^a Zohreh Derikvand,^a Mohammad Ghadermazi ^b and Shirin Daneshvar ^c

^aDepartment of Chemistry, Teacher Training University, 49 Mofateh Avenue, 15614 Tehran, Iran, ^bDepartment of Chemistry, University of Kurdistan, Sanandaj, Iran, and ^cIslamic Azad University, North Tehran Branch, Tehran, Iran
^*Correspondence e-mail: haghabozorg@yahoo.com

(Received 17 November 2007; accepted 13 January 2008; online 23 January 2008)

The reaction of strontium(II) nitrate with the proton-transfer compound (pdaH₂)(py-3,5-dc)·H₂O (where pda = propane-1,3-diamine and py-3,5-dcH₂ = pyridine-3,5-dicarboxylic acid) leads to the formation of the title polymeric compound, [Sr(C₇H₃NO₄)(H₂O)₄]_n. The propane-1,3-diaminium cation is not incorporated in this crystal structure. The Sr^II atom lies on an inversion centre and is eight-coordinated by four O atoms from three py-3,5-dc ligands and four O atoms from four coordinated water molecules. The coordination polyhedron of the Sr^II atom is a distorted dodecahedron. These binuclear units are connected via the carboxylate O atoms to build a one-dimensional polymeric chain. In the crystal structure, non-covalant interactions consisting of hydrogen bonds (X—H⋯O, with X = O and C) and π–π stacking interactions [3.4604 (19) Å] connect the various components to form a supramolecular structure.

Related literature

For related literature, see: Aghabozorg et al. (2006 , 2007 , 2008 ); Starosta et al. (2002a ,b ).

Experimental

Crystal data

[Sr(C₇H₃NO₄)(H₂O)₄]
M_r = 324.79
Triclinic, $[P \overline 1]$
a = 7.066 (2) Å
b = 8.308 (3) Å
c = 10.368 (3) Å
α = 69.405 (6)°
β = 72.144 (6)°
γ = 75.944 (6)°
V = 536.0 (3) Å³
Z = 2
Mo Kα radiation
μ = 5.06 mm⁻¹
T = 100 (2) K
0.30 × 0.22 × 0.18 mm

Data collection

Bruker APEXII CCD area-detector diffractometer
Absorption correction: multi-scan (APEX2; Bruker, 2005 ) T_min = 0.257, T_max = 0.402
4533 measured reflections
2540 independent reflections
2277 reflections with I > 2σ(I)
R_int = 0.038

Refinement

R[F² > 2σ(F²)] = 0.029
wR(F²) = 0.065
S = 0.99
2540 reflections
154 parameters
H-atom parameters constrained
Δρ_max = 0.65 e Å⁻³
Δρ_min = −0.66 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1WA⋯O3ⁱⁱ	0.83	1.92	2.744 (3)	178
O1W—H1WB⋯O3ⁱⁱⁱ	0.92	1.85	2.754 (3)	168
O2W—H2WA⋯O4ⁱⁱⁱ	0.86	1.90	2.747 (3)	169
O2W—H2WB⋯O4ⁱ	0.86	1.98	2.816 (3)	162
O3W—H3WA⋯O4^iv	0.93	1.95	2.863 (3)	168
O3W—H3WB⋯O4Wⁱⁱ	0.85	2.31	3.159 (4)	175
O4W—H4WA⋯N1^v	0.83	1.92	2.739 (4)	169
O4W—H4WB⋯O4^vi	0.79	2.42	3.192 (4)	164
C3—H3A⋯O1Wⁱⁱ	0.95	2.40	3.324 (4)	164
Symmetry codes: (i) -x, -y+1, -z+2; (ii) -x, -y+1, -z+1; (iii) x+1, y+1, z-1; (iv) x, y+1, z-1; (v) x, y, z-1; (vi) x+1, y, z-1.

Data collection: APEX2 (Bruker, 2005); cell refinement: APEX2; data reduction: APEX2; 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.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808001335/su2030sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536808001335/su2030Isup2.hkl

checkCIF report

Comment top

We have previously reported a proton transfer system, prepared using pyridine-3,5-dicarboxylic acid and propane-1,3-diamine (pdaH₂)(py-3,5-dc).H₂O (Aghabozorg et al. 2006; Aghabozorg et al., 2007). Pyridine-3,5-dicarboxylic acid is an interesting ligand because it is highly symmetrical, potentially multidentate and it can participate in hydrogen bonding interactions with N and O acceptors. It may also exhibit π–π interactions (Starosta et al., 2002a,b) and some polymeric Cd(II) complexes of this ligand have been published. Here we report on the crystal structure of the title polymeric compound, (I).

The compound (I) is a centrosymmetric polymer (Fig. 1). The Sr—O distances are in the range of 2.5240 (19)–2.7395 (18) Å, and the summation of the bond angles around of Sr^II atom is equal to 359.24°, indicating that the Sr^II atom is located in the center of the plane (O2ⁱ,O4W,O1ⁱⁱ,O3W,O2W). This shows that it has a distorted dodecahedral geometry (Fig. 2).

The carboxylate groups from the py-3,5-dc ligands link two Sr^II centers by two O1 atoms or two O2 atoms alternatively to form binuclear units and this results in the formation of a one-dimensional polymer chain. Each of the atoms, O1 and O2, from the py-3,5-dc ligands are connected to two Sr^II atoms, but only atoms O3, O4 and N1 from these ligands build hydrogen bonds with the coordinated water molecules. There are a large number of O—H···O, N—H···O and C—H···O hydrogen bonds with distances ranging from 2.739 (4) to 3.324 (4) Å (Table 2 and Fig. 3).

In the crystal structure of (I), noncovalant interactions consisting of hydrogen bonds, π–π stacking interactions of 3.4604 (19) Å between Cg1 and Cg1ⁱ (Fig. 4 and Table 1) [Cg1 is centroid of ring N1/C1–C5; symmetry code: (i) = -x, 1 - y, 2 - z)] connect the various components to form the supramolecular structure.

Related literature top

For related literature, see: Aghabozorg et al. (2006, 2007); Starosta et al. (2002a,b).

Experimental top

Compound (I) was prepared by the reaction of (pdaH₂)(py-3,5-dc).H₂O (241.0 mg, 1.0 mmol) [Aghabozorg et al., 2006], in water (20 ml) with Sr(NO₃)₂ (105.8 mg, 0.5 mmol) in water (20 ml), in a 2:1 molar ratio. Colorless crystals were obtained by slow evaporation of the solvent at room temperature.

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: APEX2 (Bruker, 2005); data reduction: APEX2 (Bruker, 2005); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. Molecular structure of compound (I), with displacement ellipsoids drawn at the 50% probability level [H-atoms have been omitted for clarity; symmetry codes: A = -x, 1 - y, 1 - z and B = 1 - x, 1 - y, 1 - z].
	Fig. 2. A view of the distorted dodecahedral environment around the Sr^II atom.
	Fig. 3. A view along the a axis of the crystal packing of compound (I). Hydrogen bonds are shown as dashed lines.
	Fig. 4. π–π stacking interactions (Cg1–Cg1ⁱ) in compound (I) [Cg1: N1/C1–C5; symmetry code: (i) = -x, 1 - y, 2 - z].

Poly[tetraaqua-µ₃-pyridine-3,5-dicarboxylato-strontium(II)] top

Crystal data top

[Sr(C₇H₃NO₄)(H₂O)₄]	Z = 2
M_r = 324.79	F(000) = 324
Triclinic, P1	D_x = 2.012 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.066 (2) Å	Cell parameters from 2708 reflections
b = 8.308 (3) Å	θ = 2.6–30.0°
c = 10.368 (3) Å	µ = 5.06 mm⁻¹
α = 69.405 (6)°	T = 100 K
β = 72.144 (6)°	Prism, colourless
γ = 75.944 (6)°	0.30 × 0.22 × 0.18 mm
V = 536.0 (3) Å³

Data collection top

Bruker APEXII CCD area-detector diffractometer	2540 independent reflections
Radiation source: fine-focus sealed tube	2277 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.038
ω scans	θ_max = 28.0°, θ_min = 2.2°
Absorption correction: multi-scan (APEX2; Bruker, 2005)	h = −8→9
T_min = 0.257, T_max = 0.402	k = −10→10
4533 measured reflections	l = −13→13

Refinement top

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)] = 0.029	Hydrogen site location: difference Fourier map
wR(F²) = 0.065	H-atom parameters constrained
S = 0.99	w = 1/[σ²(F_o²) + (0.0193P)²] where P = (F_o² + 2F_c²)/3
2540 reflections	(Δ/σ)_max = 0.001
154 parameters	Δρ_max = 0.65 e Å⁻³
0 restraints	Δρ_min = −0.66 e Å⁻³

Crystal data top

[Sr(C₇H₃NO₄)(H₂O)₄]	γ = 75.944 (6)°
M_r = 324.79	V = 536.0 (3) Å³
Triclinic, P1	Z = 2
a = 7.066 (2) Å	Mo Kα radiation
b = 8.308 (3) Å	µ = 5.06 mm⁻¹
c = 10.368 (3) Å	T = 100 K
α = 69.405 (6)°	0.30 × 0.22 × 0.18 mm
β = 72.144 (6)°

Data collection top

Bruker APEXII CCD area-detector diffractometer	2540 independent reflections
Absorption correction: multi-scan (APEX2; Bruker, 2005)	2277 reflections with I > 2σ(I)
T_min = 0.257, T_max = 0.402	R_int = 0.038
4533 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.029	0 restraints
wR(F²) = 0.065	H-atom parameters constrained
S = 0.99	Δρ_max = 0.65 e Å⁻³
2540 reflections	Δρ_min = −0.66 e Å⁻³
154 parameters

Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Sr1	0.27281 (3)	0.61146 (3)	0.39986 (2)	0.00977 (8)
O1	0.0595 (3)	0.4107 (2)	0.64828 (18)	0.0145 (4)
O2	0.3414 (3)	0.4771 (2)	0.65401 (17)	0.0134 (4)
O3	−0.3603 (3)	0.0688 (3)	1.10676 (18)	0.0171 (4)
O4	−0.2944 (3)	0.0464 (3)	1.30871 (19)	0.0208 (4)
N1	0.1904 (3)	0.3128 (3)	1.0958 (2)	0.0117 (4)
C1	0.2362 (4)	0.3684 (3)	0.9544 (3)	0.0106 (5)
H1A	0.3469	0.4306	0.9064	0.013*
C2	0.1298 (4)	0.3398 (3)	0.8736 (2)	0.0098 (5)
C3	−0.0306 (4)	0.2479 (3)	0.9450 (2)	0.0110 (5)
H3A	−0.1061	0.2257	0.8931	0.013*
C4	−0.0808 (4)	0.1885 (3)	1.0922 (3)	0.0106 (5)
C5	0.0352 (4)	0.2248 (3)	1.1627 (3)	0.0120 (5)
H5A	0.0023	0.1849	1.2635	0.014*
C6	0.1813 (4)	0.4129 (3)	0.7142 (2)	0.0103 (5)
C7	−0.2567 (4)	0.0930 (3)	1.1741 (3)	0.0115 (5)
O1W	0.3572 (3)	0.8563 (2)	0.17360 (18)	0.0157 (4)
H1WA	0.3591	0.8811	0.0888	0.019*
H1WB	0.4416	0.9316	0.1631	0.019*
O2W	0.4291 (3)	0.8227 (3)	0.4569 (2)	0.0253 (5)
H2WA	0.5046	0.8998	0.4043	0.030*
H2WB	0.3802	0.8404	0.5389	0.030*
O3W	−0.0230 (3)	0.8411 (3)	0.4823 (2)	0.0223 (4)
H3WA	−0.1078	0.8936	0.4213	0.027*
H3WB	−0.1145	0.7842	0.5417	0.027*
O4W	0.3526 (3)	0.3705 (3)	0.2812 (3)	0.0372 (6)
H4WA	0.3192	0.3499	0.2194	0.045*
H4WB	0.4424	0.2960	0.3008	0.045*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Sr1	0.00856 (13)	0.01397 (13)	0.00712 (11)	−0.00508 (8)	−0.00166 (8)	−0.00157 (8)
O1	0.0111 (9)	0.0211 (11)	0.0115 (8)	−0.0067 (7)	−0.0042 (7)	−0.0012 (7)
O2	0.0096 (9)	0.0179 (10)	0.0100 (8)	−0.0065 (7)	−0.0011 (7)	0.0008 (7)
O3	0.0166 (10)	0.0243 (11)	0.0120 (8)	−0.0116 (8)	−0.0025 (7)	−0.0026 (8)
O4	0.0223 (11)	0.0316 (13)	0.0097 (8)	−0.0172 (9)	0.0009 (8)	−0.0028 (8)
N1	0.0117 (11)	0.0117 (11)	0.0117 (10)	−0.0014 (8)	−0.0038 (8)	−0.0028 (8)
C1	0.0089 (12)	0.0102 (13)	0.0122 (11)	−0.0021 (9)	−0.0020 (9)	−0.0029 (10)
C2	0.0083 (12)	0.0095 (13)	0.0095 (11)	0.0004 (9)	−0.0023 (9)	−0.0013 (9)
C3	0.0105 (12)	0.0109 (13)	0.0111 (11)	−0.0005 (10)	−0.0040 (9)	−0.0021 (9)
C4	0.0100 (12)	0.0089 (13)	0.0110 (11)	−0.0026 (9)	−0.0010 (9)	−0.0011 (9)
C5	0.0138 (13)	0.0108 (13)	0.0096 (11)	−0.0019 (10)	−0.0016 (9)	−0.0020 (9)
C6	0.0107 (12)	0.0085 (13)	0.0104 (11)	−0.0011 (9)	−0.0021 (9)	−0.0018 (9)
C7	0.0112 (13)	0.0112 (13)	0.0112 (11)	−0.0022 (10)	−0.0008 (9)	−0.0034 (10)
O1W	0.0186 (10)	0.0179 (10)	0.0109 (8)	−0.0100 (8)	−0.0046 (7)	0.0010 (7)
O2W	0.0307 (12)	0.0316 (13)	0.0181 (10)	−0.0236 (10)	0.0068 (9)	−0.0110 (9)
O3W	0.0261 (11)	0.0217 (12)	0.0211 (10)	−0.0013 (9)	−0.0091 (8)	−0.0077 (9)
O4W	0.0324 (13)	0.0473 (16)	0.0527 (15)	0.0211 (11)	−0.0306 (11)	−0.0405 (13)

Geometric parameters (Å, º) top

Sr1—O1W	2.5240 (19)	C1—C2	1.392 (3)
Sr1—O4W	2.568 (2)	C1—H1A	0.9500
Sr1—O2ⁱ	2.5816 (19)	C2—C3	1.387 (3)
Sr1—O2W	2.592 (2)	C2—C6	1.505 (3)
Sr1—O1ⁱⁱ	2.6063 (19)	C3—C4	1.386 (3)
Sr1—O3W	2.618 (2)	C3—H3A	0.9500
Sr1—O2	2.6223 (19)	C4—C5	1.393 (3)
Sr1—O1	2.7395 (18)	C4—C7	1.501 (3)
Sr1—C6	3.034 (3)	C5—H5A	0.9500
Sr1—Sr1ⁱ	4.0677 (11)	O1W—H1WA	0.8258
Sr1—Sr1ⁱⁱ	4.2965 (12)	O1W—H1WB	0.9233
O1—C6	1.259 (3)	O2W—H2WA	0.8569
O1—Sr1ⁱⁱ	2.6063 (19)	O2W—H2WB	0.8650
O2—C6	1.257 (3)	O3W—H3WA	0.9275
O2—Sr1ⁱ	2.5816 (19)	O3W—H3WB	0.8485
O3—C7	1.244 (3)	O4W—H4WA	0.8287
O4—C7	1.269 (3)	O4W—H4WB	0.7918
N1—C1	1.332 (3)	Cg1—Cg1(N1/C1-C5)ⁱⁱⁱ	3.4604 (19)
N1—C5	1.335 (3)

O1W—Sr1—O4W	96.37 (8)	O1ⁱⁱ—Sr1—Sr1ⁱⁱ	37.58 (4)
O1W—Sr1—O2ⁱ	82.73 (6)	O3W—Sr1—Sr1ⁱⁱ	69.44 (5)
O4W—Sr1—O2ⁱ	73.73 (6)	O2—Sr1—Sr1ⁱⁱ	84.10 (4)
O1W—Sr1—O2W	72.85 (7)	O1—Sr1—Sr1ⁱⁱ	35.47 (4)
O4W—Sr1—O2W	144.24 (7)	C6—Sr1—Sr1ⁱⁱ	59.79 (5)
O2ⁱ—Sr1—O2W	71.15 (7)	Sr1ⁱ—Sr1—Sr1ⁱⁱ	115.28 (2)
O1W—Sr1—O1ⁱⁱ	93.47 (6)	C6—O1—Sr1ⁱⁱ	160.12 (16)
O4W—Sr1—O1ⁱⁱ	72.57 (6)	C6—O1—Sr1	90.96 (15)
O2ⁱ—Sr1—O1ⁱⁱ	145.42 (6)	Sr1ⁱⁱ—O1—Sr1	106.95 (6)
O2W—Sr1—O1ⁱⁱ	140.38 (7)	C6—O2—Sr1ⁱ	141.33 (16)
O1W—Sr1—O3W	85.06 (7)	C6—O2—Sr1	96.51 (14)
O4W—Sr1—O3W	141.51 (7)	Sr1ⁱ—O2—Sr1	102.83 (6)
O2ⁱ—Sr1—O3W	143.96 (6)	C1—N1—C5	118.1 (2)
O2W—Sr1—O3W	72.86 (7)	N1—C1—C2	123.1 (2)
O1ⁱⁱ—Sr1—O3W	68.96 (6)	N1—C1—H1A	118.4
O1W—Sr1—O2	141.03 (6)	C2—C1—H1A	118.4
O4W—Sr1—O2	109.25 (7)	C3—C2—C1	117.8 (2)
O2ⁱ—Sr1—O2	77.17 (6)	C3—C2—C6	121.0 (2)
O2W—Sr1—O2	69.18 (6)	C1—C2—C6	121.1 (2)
O1ⁱⁱ—Sr1—O2	121.59 (5)	C4—C3—C2	120.0 (2)
O3W—Sr1—O2	91.91 (6)	C4—C3—H3A	120.0
O1W—Sr1—O1	161.19 (6)	C2—C3—H3A	120.0
O4W—Sr1—O1	92.07 (8)	C3—C4—C5	117.5 (2)
O2ⁱ—Sr1—O1	115.84 (6)	C3—C4—C7	121.9 (2)
O2W—Sr1—O1	109.03 (6)	C5—C4—C7	120.6 (2)
O1ⁱⁱ—Sr1—O1	73.05 (6)	N1—C5—C4	123.4 (2)
O3W—Sr1—O1	77.93 (6)	N1—C5—H5A	118.3
O2—Sr1—O1	48.73 (5)	C4—C5—H5A	118.3
O1W—Sr1—C6	159.89 (7)	O2—C6—O1	123.3 (2)
O4W—Sr1—C6	103.03 (8)	O2—C6—C2	118.2 (2)
O2ⁱ—Sr1—C6	97.56 (6)	O1—C6—C2	118.4 (2)
O2W—Sr1—C6	88.14 (7)	O2—C6—Sr1	59.18 (12)
O1ⁱⁱ—Sr1—C6	97.29 (6)	O1—C6—Sr1	64.53 (13)
O3W—Sr1—C6	83.05 (7)	C2—C6—Sr1	171.70 (17)
O2—Sr1—C6	24.31 (6)	O3—C7—O4	123.8 (2)
O1—Sr1—C6	24.51 (6)	O3—C7—C4	118.4 (2)
O1W—Sr1—Sr1ⁱ	114.89 (5)	O4—C7—C4	117.7 (2)
O4W—Sr1—Sr1ⁱ	91.99 (5)	Sr1—O1W—H1WA	138.3
O2ⁱ—Sr1—Sr1ⁱ	38.94 (4)	Sr1—O1W—H1WB	121.7
O2W—Sr1—Sr1ⁱ	64.27 (5)	H1WA—O1W—H1WB	97.4
O1ⁱⁱ—Sr1—Sr1ⁱ	149.34 (4)	Sr1—O2W—H2WA	132.5
O3W—Sr1—Sr1ⁱ	122.32 (5)	Sr1—O2W—H2WB	118.0
O2—Sr1—Sr1ⁱ	38.23 (4)	H2WA—O2W—H2WB	107.9
O1—Sr1—Sr1ⁱ	81.46 (4)	Sr1—O3W—H3WA	114.3
C6—Sr1—Sr1ⁱ	59.74 (5)	Sr1—O3W—H3WB	106.3
O1W—Sr1—Sr1ⁱⁱ	129.81 (4)	H3WA—O3W—H3WB	89.7
O4W—Sr1—Sr1ⁱⁱ	80.87 (6)	Sr1—O4W—H4WA	138.5
O2ⁱ—Sr1—Sr1ⁱⁱ	141.02 (4)	Sr1—O4W—H4WB	115.5
O2W—Sr1—Sr1ⁱⁱ	132.47 (5)	H4WA—O4W—H4WB	105.6

O1W—Sr1—O1—C6	−125.5 (2)	C2—C3—C4—C5	0.0 (4)
O4W—Sr1—O1—C6	117.69 (15)	C2—C3—C4—C7	178.2 (2)
O2ⁱ—Sr1—O1—C6	44.79 (16)	C1—N1—C5—C4	0.0 (4)
O2W—Sr1—O1—C6	−32.93 (16)	C3—C4—C5—N1	−0.1 (4)
O1ⁱⁱ—Sr1—O1—C6	−171.24 (19)	C7—C4—C5—N1	−178.3 (2)
O3W—Sr1—O1—C6	−99.82 (16)	Sr1ⁱ—O2—C6—O1	−112.8 (3)
O2—Sr1—O1—C6	3.66 (14)	Sr1—O2—C6—O1	7.2 (3)
Sr1ⁱ—Sr1—O1—C6	25.99 (14)	Sr1ⁱ—O2—C6—C2	69.0 (3)
Sr1ⁱⁱ—Sr1—O1—C6	−171.24 (19)	Sr1—O2—C6—C2	−170.94 (19)
O1W—Sr1—O1—Sr1ⁱⁱ	45.7 (2)	Sr1ⁱ—O2—C6—Sr1	−120.0 (2)
O4W—Sr1—O1—Sr1ⁱⁱ	−71.07 (7)	Sr1ⁱⁱ—O1—C6—O2	−161.5 (4)
O2ⁱ—Sr1—O1—Sr1ⁱⁱ	−143.98 (6)	Sr1—O1—C6—O2	−6.9 (3)
O2W—Sr1—O1—Sr1ⁱⁱ	138.31 (7)	Sr1ⁱⁱ—O1—C6—C2	16.7 (7)
O1ⁱⁱ—Sr1—O1—Sr1ⁱⁱ	0.0	Sr1—O1—C6—C2	171.3 (2)
O3W—Sr1—O1—Sr1ⁱⁱ	71.42 (7)	Sr1ⁱⁱ—O1—C6—Sr1	−154.6 (5)
O2—Sr1—O1—Sr1ⁱⁱ	174.89 (11)	C3—C2—C6—O2	−171.8 (2)
C6—Sr1—O1—Sr1ⁱⁱ	171.24 (19)	C1—C2—C6—O2	10.9 (4)
Sr1ⁱ—Sr1—O1—Sr1ⁱⁱ	−162.78 (6)	C3—C2—C6—O1	9.9 (4)
O1W—Sr1—O2—C6	152.90 (14)	C1—C2—C6—O1	−167.3 (2)
O4W—Sr1—O2—C6	−78.87 (16)	O1W—Sr1—C6—O2	−56.4 (2)
O2ⁱ—Sr1—O2—C6	−146.30 (18)	O4W—Sr1—C6—O2	108.05 (15)
O2W—Sr1—O2—C6	139.24 (16)	O2ⁱ—Sr1—C6—O2	33.08 (18)
O1ⁱⁱ—Sr1—O2—C6	2.05 (17)	O2W—Sr1—C6—O2	−37.63 (15)
O3W—Sr1—O2—C6	68.40 (15)	O1ⁱⁱ—Sr1—C6—O2	−178.24 (15)
O1—Sr1—O2—C6	−3.68 (14)	O3W—Sr1—C6—O2	−110.59 (15)
Sr1ⁱ—Sr1—O2—C6	−146.30 (18)	O1—Sr1—C6—O2	173.3 (2)
Sr1ⁱⁱ—Sr1—O2—C6	−0.71 (14)	Sr1ⁱ—Sr1—C6—O2	23.42 (13)
O1W—Sr1—O2—Sr1ⁱ	−60.80 (11)	Sr1ⁱⁱ—Sr1—C6—O2	179.19 (16)
O4W—Sr1—O2—Sr1ⁱ	67.43 (8)	O1W—Sr1—C6—O1	130.25 (19)
O2ⁱ—Sr1—O2—Sr1ⁱ	0.0	O4W—Sr1—C6—O1	−65.27 (16)
O2W—Sr1—O2—Sr1ⁱ	−74.46 (7)	O2ⁱ—Sr1—C6—O1	−140.24 (15)
O1ⁱⁱ—Sr1—O2—Sr1ⁱ	148.35 (6)	O2W—Sr1—C6—O1	149.06 (15)
O3W—Sr1—O2—Sr1ⁱ	−145.30 (7)	O1ⁱⁱ—Sr1—C6—O1	8.45 (18)
O1—Sr1—O2—Sr1ⁱ	142.62 (10)	O3W—Sr1—C6—O1	76.10 (15)
C6—Sr1—O2—Sr1ⁱ	146.30 (18)	O2—Sr1—C6—O1	−173.3 (2)
Sr1ⁱⁱ—Sr1—O2—Sr1ⁱ	145.59 (6)	Sr1ⁱ—Sr1—C6—O1	−149.89 (16)
C5—N1—C1—C2	0.3 (4)	Sr1ⁱⁱ—Sr1—C6—O1	5.87 (12)
N1—C1—C2—C3	−0.4 (4)	C3—C4—C7—O3	−0.7 (4)
N1—C1—C2—C6	177.0 (2)	C5—C4—C7—O3	177.5 (2)
C1—C2—C3—C4	0.2 (4)	C3—C4—C7—O4	−178.6 (2)
C6—C2—C3—C4	−177.1 (2)	C5—C4—C7—O4	−0.4 (4)

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x, −y+1, −z+1; (iii) −x, −y+1, −z+2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O3ⁱⁱ	0.83	1.92	2.744 (3)	178
O1W—H1WB···O3^iv	0.92	1.85	2.754 (3)	168
O2W—H2WA···O4^iv	0.86	1.90	2.747 (3)	169
O2W—H2WB···O4ⁱⁱⁱ	0.86	1.98	2.816 (3)	162
O3W—H3WA···O4^v	0.93	1.95	2.863 (3)	168
O3W—H3WB···O4Wⁱⁱ	0.85	2.31	3.159 (4)	175
O4W—H4WA···N1^vi	0.83	1.92	2.739 (4)	169
O4W—H4WB···O4^vii	0.79	2.42	3.192 (4)	164
C3—H3A···O1Wⁱⁱ	0.95	2.40	3.324 (4)	164

Symmetry codes: (ii) −x, −y+1, −z+1; (iii) −x, −y+1, −z+2; (iv) x+1, y+1, z−1; (v) x, y+1, z−1; (vi) x, y, z−1; (vii) x+1, y, z−1.

Experimental details

Crystal data
Chemical formula	[Sr(C₇H₃NO₄)(H₂O)₄]
M_r	324.79
Crystal system, space group	Triclinic, P1
Temperature (K)	100
a, b, c (Å)	7.066 (2), 8.308 (3), 10.368 (3)
α, β, γ (°)	69.405 (6), 72.144 (6), 75.944 (6)
V (Å³)	536.0 (3)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	5.06
Crystal size (mm)	0.30 × 0.22 × 0.18

Data collection
Diffractometer	Bruker APEXII CCD area-detector diffractometer
Absorption correction	Multi-scan (APEX2; Bruker, 2005)
T_min, T_max	0.257, 0.402
No. of measured, independent and observed [I > 2σ(I)] reflections	4533, 2540, 2277
R_int	0.038
(sin θ/λ)_max (Å⁻¹)	0.660

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.029, 0.065, 0.99
No. of reflections	2540
No. of parameters	154
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.65, −0.66

Computer programs: APEX2 (Bruker, 2005), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top

Cg1—Cg1(N1/C1-C5)ⁱ

3.4604 (19)

Symmetry code: (i) −x, −y+1, −z+2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O3ⁱⁱ	0.83	1.92	2.744 (3)	178
O1W—H1WB···O3ⁱⁱⁱ	0.92	1.85	2.754 (3)	168
O2W—H2WA···O4ⁱⁱⁱ	0.86	1.90	2.747 (3)	169
O2W—H2WB···O4ⁱ	0.86	1.98	2.816 (3)	162
O3W—H3WA···O4^iv	0.93	1.95	2.863 (3)	168
O3W—H3WB···O4Wⁱⁱ	0.85	2.31	3.159 (4)	175
O4W—H4WA···N1^v	0.83	1.92	2.739 (4)	169
O4W—H4WB···O4^vi	0.79	2.42	3.192 (4)	164
C3—H3A···O1Wⁱⁱ	0.95	2.40	3.324 (4)	164

Symmetry codes: (i) −x, −y+1, −z+2; (ii) −x, −y+1, −z+1; (iii) x+1, y+1, z−1; (iv) x, y+1, z−1; (v) x, y, z−1; (vi) x+1, y, z−1.

References

Aghabozorg, H., Attar Gharamaleki, J., Ghasemikhah, P., Ghadermazi, M. & Soleimannejad, J. (2007). Acta Cryst. E63, m1710–m1711. Web of Science CSD CrossRef IUCr Journals Google Scholar
Aghabozorg, H., Ghadermazi, M. & Nemati, A. (2006). Anal. Sci. 22, x233–x234. CAS Google Scholar
Aghabozorg, H., Nemati, A., Derikvand, Z., Ghadermazi, M. & Daneshvar, S. (2008). Acta Cryst. E64, m375. Web of Science CSD CrossRef IUCr Journals Google Scholar
Bruker (2005). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Starosta, W., Ptasiewicz-Bak, H. & Leciejewicz, J. (2002a). J. Coord. Chem. 55, 1–9. Web of Science CSD CrossRef CAS Google Scholar
Starosta, W., Ptasiewicz-Bak, H. & Leciejewicz, J. (2002b). J. Coord. Chem. 55, 985–990. Web of Science CSD CrossRef CAS Google Scholar

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Volume 64| Part 2| February 2008| Page m376

doi:10.1107/S1600536808001335

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