Poly[[diaqua­(μ4-1H-benzimidazole-5,6-dicarboxyl­ato)strontium] monohydrate]

Song, W.-D.; Wang, H.; Liu, J.-H.; Ma, X.-T.; Ng, S.W.

doi:10.1107/S1600536809048284

metal-organic compounds

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ISSN: 2056-9890

Volume 65| Part 12| December 2009| Pages m1643-m1644

doi:10.1107/S1600536809048284

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Poly[[diaqua(μ₄-1H-benzimidazole-5,6-dicarboxylato)strontium] monohydrate]

Wen-Dong Song,^a Hao Wang,^b Juan-Hua Liu,^b Xiao-Tian Ma ^b and Seik Weng Ng ^c ^*

^aCollege of Science, Guangdong Ocean University, Zhanjiang 524088, People's Republic of China, ^bCollege of Food Science and Technology, Guangdong Ocean University, Zhanjiang 524088, People's Republic of China, and ^cDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
^*Correspondence e-mail: seikweng@um.edu.my

(Received 12 November 2009; accepted 13 November 2009; online 21 November 2009)

Each of the carboxylate –CO₂ fragments of the dianion ligand in the title compound, {[Sr(C₉H₄N₂O₄)(H₂O)₂]·H₂O}_n, chelates to a Sr^II atom and at the same time, one of the two O atoms coordinates to a third Sr^II atom. The μ₄-bridging mode of the dianion generates a square-grid layer motif; adjacent layers are connected by O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds, forming a three-dimensional network. The eight-coordinate Sr atom exists in a distorted square-antiprismatic geometry. The crystal studied was a non-merohedral twin with a minor twin component of 24%.

Related literature

For the crystal structures of other metal salts of dicarboxylic acid, see: Gao et al. (2008 ); Lo et al. (2007 ); Song et al. (2009a ,b ). For the treated of diffraction data of twinned crystals, see: Spek (2009 ).

Experimental

Crystal data

[Sr(C₉H₄N₂O₄)(H₂O)₂]·H₂O
M_r = 345.81
Triclinic, $[P \overline 1]$
a = 6.909 (1) Å
b = 7.093 (1) Å
c = 13.037 (2) Å
α = 80.860 (5)°
β = 83.974 (5)°
γ = 71.795 (4)°
V = 598.2 (2) Å³
Z = 2
Mo Kα radiation
μ = 4.54 mm⁻¹
T = 293 K
0.31 × 0.24 × 0.20 mm

Data collection

Rigaku R-AXIS RAPID IP diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ) T_min = 0.334, T_max = 0.464
5799 measured reflections
2695 independent reflections
2339 reflections with I > 2σ(I)
R_int = 0.075

Refinement

R[F² > 2σ(F²)] = 0.076
wR(F²) = 0.214
S = 1.05
2695 reflections
173 parameters
H-atom parameters constrained
Δρ_max = 2.69 e Å⁻³
Δρ_min = −2.12 e Å⁻³

Table 1
Selected bond lengths (Å)

Sr1—O1	2.604 (5)
Sr1—O2	2.760 (5)
Sr1—O2ⁱ	2.516 (5)
Sr1—O3ⁱⁱ	2.711 (5)
Sr1—O3ⁱⁱⁱ	2.528 (5)
Sr1—O4ⁱⁱ	2.635 (6)
Sr1—O1w	2.554 (5)
Sr1—O2w	2.579 (6)
Symmetry codes: (i) -x, -y+1, -z+1; (ii) x, y-1, z; (iii) -x+1, -y+1, -z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1w—H11⋯O1ⁱⁱⁱ	0.84	1.98	2.81 (1)	167
O1w—H12⋯O4^iv	0.84	2.00	2.83 (1)	173
O2w—H21⋯O3w^v	0.84	2.28	2.95 (1)	136
O2w—H22⋯O4ⁱ	0.84	2.12	2.93 (1)	162
O3w—H3w1⋯N1	0.84	1.97	2.78 (1)	160
O3w—H3w2⋯O3w^vi	0.84	2.39	3.01 (2)	132
N2—H2n⋯O3w^vii	0.88	2.07	2.75 (1)	134
Symmetry codes: (i) -x, -y+1, -z+1; (iii) -x+1, -y+1, -z+1; (iv) -x, -y+2, -z+1; (v) x, y, z-1; (vi) -x+1, -y, -z+2; (vii) x, y+1, z.

Data collection: RAPID-AUTO (Rigaku, 1998 ); cell refinement: RAPID-AUTO; data reduction: CrystalClear (Rigaku/MSC, 2002 ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: OLEX (Dolomanov et al., 2003 ) and X-SEED (Barbour, 2001 ); software used to prepare material for publication: publCIF (Westrip, 2009 ).

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809048284/xu2672sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536809048284/xu2672Isup2.hkl

checkCIF report

Related literature top

For the crystal structures of other metal salts of dicarboxylic acid, see: Gao et al. (2008); Lo et al. (2007); Song et al. (2009a,b). For the treated of twinned diffraction data, see: Spek (2009).

Experimental top

Strontium dichloride hexahydrate (0.027 g, 0.1 mmol), 1H-benzimidazole-5,6-dicarboxylic acid (0.021 g, 0.1 mmol) and water (15 ml) along with a few drops of sodium hydroxide solution that adjusted the pH to about 7 were placed in a 25 ml glass vessel, which was kept at 277 K for several weeks. Colorless block-shaped crystals were obtained in 60% yield.

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO (Rigaku, 1998); data reduction: CrystalClear (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: OLEX (Dolomanov et al., 2003) and X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2009).

Figures top

	Fig. 1. Thermal ellipsoid plot (Barbour, 2001) of a portion of the chain structure of Sr(H₂O)₂(C₉H₄N₂O₂)^.H₂O at the 50% probability level; hydrogen atoms are drawn as spheres of arbitrary radius.
	Fig. 2. Detail of the geometry of Sr1.
	Fig. 3. OLEX (Dolomanov et al., 2003) depiction of the layer motif.

Poly[[diaqua(µ₄-1H-benzimidazole-5,6-dicarboxylato)strontium] monohydrate] top

Crystal data top

[Sr(C₉H₄N₂O₄)(H₂O)₂]·H₂O	Z = 2
M_r = 345.81	F(000) = 344
Triclinic, P1	D_x = 1.920 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.909 (1) Å	Cell parameters from 5129 reflections
b = 7.093 (1) Å	θ = 3.1–27.5°
c = 13.037 (2) Å	µ = 4.54 mm⁻¹
α = 80.860 (5)°	T = 293 K
β = 83.974 (5)°	Block, colorless
γ = 71.795 (4)°	0.31 × 0.24 × 0.20 mm
V = 598.2 (2) Å³

Data collection top

Rigaku R-AXIS RAPID IP diffractometer	2695 independent reflections
Radiation source: fine-focus sealed tube	2339 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.075
ω scan	θ_max = 27.5°, θ_min = 3.1°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −8→8
T_min = 0.334, T_max = 0.464	k = −9→9
5799 measured reflections	l = −16→16

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)] = 0.076	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.214	H-atom parameters constrained
S = 1.05	w = 1/[σ²(F_o²) + (0.1352P)² + 1.3937P] where P = (F_o² + 2F_c²)/3
2695 reflections	(Δ/σ)_max = 0.001
173 parameters	Δρ_max = 2.69 e Å⁻³
0 restraints	Δρ_min = −2.12 e Å⁻³

Crystal data top

[Sr(C₉H₄N₂O₄)(H₂O)₂]·H₂O	γ = 71.795 (4)°
M_r = 345.81	V = 598.2 (2) Å³
Triclinic, P1	Z = 2
a = 6.909 (1) Å	Mo Kα radiation
b = 7.093 (1) Å	µ = 4.54 mm⁻¹
c = 13.037 (2) Å	T = 293 K
α = 80.860 (5)°	0.31 × 0.24 × 0.20 mm
β = 83.974 (5)°

Data collection top

Rigaku R-AXIS RAPID IP diffractometer	2695 independent reflections
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	2339 reflections with I > 2σ(I)
T_min = 0.334, T_max = 0.464	R_int = 0.075
5799 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.076	0 restraints
wR(F²) = 0.214	H-atom parameters constrained
S = 1.05	Δρ_max = 2.69 e Å⁻³
2695 reflections	Δρ_min = −2.12 e Å⁻³
173 parameters

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

	x	y	z	U_iso*/U_eq
Sr1	0.25457 (8)	0.25734 (8)	0.46107 (4)	0.0207 (3)
O1	0.4011 (8)	0.3453 (8)	0.6171 (5)	0.0353 (13)
O2	0.1154 (7)	0.5758 (7)	0.5744 (4)	0.0261 (10)
O3	0.3642 (7)	0.8869 (7)	0.5721 (4)	0.0268 (10)
O4	0.0729 (8)	1.0928 (8)	0.6225 (5)	0.0401 (14)
O1w	0.2542 (8)	0.5682 (8)	0.3316 (4)	0.0327 (12)
H11	0.3596	0.6002	0.3370	0.049*
H12	0.1502	0.6631	0.3443	0.049*
O2w	0.2942 (10)	0.0310 (10)	0.3189 (6)	0.0502 (17)
H21	0.3087	0.0953	0.2602	0.075*
H22	0.1896	−0.0064	0.3213	0.075*
O3w	0.3469 (12)	0.0350 (11)	1.0913 (6)	0.0594 (19)
H3w1	0.3165	0.1485	1.0555	0.089*
H3w2	0.4687	−0.0248	1.0740	0.089*
N1	0.2543 (11)	0.4413 (11)	1.0195 (5)	0.0378 (16)
N2	0.1892 (12)	0.7679 (11)	1.0241 (5)	0.0387 (16)
H2N	0.1640	0.8830	1.0480	0.046*
C1	0.2549 (10)	0.4986 (9)	0.6338 (5)	0.0198 (12)
C2	0.2500 (9)	0.5836 (9)	0.7336 (5)	0.0192 (12)
C3	0.2665 (11)	0.4524 (10)	0.8249 (6)	0.0254 (14)
H3	0.2916	0.3160	0.8239	0.031*
C4	0.2448 (11)	0.5298 (11)	0.9184 (6)	0.0281 (15)
C5	0.2019 (11)	0.7366 (11)	0.9214 (6)	0.0276 (14)
C6	0.1836 (11)	0.8687 (10)	0.8295 (6)	0.0267 (14)
H6	0.1550	1.0055	0.8308	0.032*
C7	0.2086 (9)	0.7926 (9)	0.7361 (5)	0.0190 (12)
C8	0.2165 (9)	0.9307 (9)	0.6363 (5)	0.0216 (13)
C10	0.2225 (14)	0.5909 (14)	1.0781 (6)	0.042 (2)
H10	0.2243	0.5692	1.1503	0.051*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Sr1	0.0175 (4)	0.0190 (4)	0.0219 (4)	−0.0002 (2)	−0.0012 (2)	−0.0025 (3)
O1	0.027 (3)	0.032 (3)	0.042 (3)	0.008 (2)	−0.010 (2)	−0.017 (2)
O2	0.022 (2)	0.028 (2)	0.026 (3)	−0.0030 (18)	−0.0043 (19)	−0.007 (2)
O3	0.020 (2)	0.026 (2)	0.029 (3)	−0.0029 (18)	0.0065 (19)	−0.002 (2)
O4	0.030 (3)	0.026 (3)	0.045 (3)	0.011 (2)	0.010 (2)	0.005 (2)
O1w	0.026 (3)	0.030 (3)	0.039 (3)	−0.006 (2)	0.004 (2)	−0.004 (2)
O2w	0.047 (4)	0.051 (4)	0.057 (4)	−0.009 (3)	−0.012 (3)	−0.024 (3)
O3w	0.066 (5)	0.045 (4)	0.066 (5)	−0.016 (3)	−0.013 (4)	0.001 (4)
N1	0.049 (4)	0.045 (4)	0.020 (3)	−0.018 (3)	−0.005 (3)	0.000 (3)
N2	0.055 (4)	0.039 (4)	0.024 (3)	−0.011 (3)	0.000 (3)	−0.017 (3)
C1	0.018 (3)	0.020 (3)	0.022 (3)	−0.004 (2)	0.000 (2)	−0.005 (2)
C2	0.014 (3)	0.019 (3)	0.022 (3)	−0.001 (2)	−0.002 (2)	−0.005 (2)
C3	0.032 (4)	0.020 (3)	0.027 (4)	−0.009 (2)	−0.002 (3)	−0.005 (3)
C4	0.035 (4)	0.030 (4)	0.021 (4)	−0.012 (3)	−0.005 (3)	−0.001 (3)
C5	0.033 (4)	0.027 (3)	0.025 (4)	−0.011 (3)	−0.003 (3)	−0.005 (3)
C6	0.034 (4)	0.019 (3)	0.026 (4)	−0.007 (3)	0.000 (3)	−0.004 (3)
C7	0.020 (3)	0.015 (3)	0.021 (3)	−0.004 (2)	0.002 (2)	−0.003 (2)
C8	0.016 (3)	0.021 (3)	0.025 (3)	0.000 (2)	−0.001 (2)	−0.008 (3)
C10	0.049 (5)	0.058 (5)	0.018 (4)	−0.013 (4)	−0.006 (3)	0.000 (3)

Geometric parameters (Å, º) top

Sr1—O1	2.604 (5)	O2w—H22	0.8400
Sr1—O2	2.760 (5)	O3w—H3w1	0.8400
Sr1—O2ⁱ	2.516 (5)	O3w—H3w2	0.8400
Sr1—O3ⁱⁱ	2.711 (5)	N1—C10	1.354 (11)
Sr1—O3ⁱⁱⁱ	2.528 (5)	N1—C4	1.366 (9)
Sr1—O4ⁱⁱ	2.635 (6)	N2—C10	1.302 (11)
Sr1—O1w	2.554 (5)	N2—C5	1.381 (9)
Sr1—O2w	2.579 (6)	N2—H2N	0.8800
O1—C1	1.262 (8)	C1—C2	1.511 (9)
O2—C1	1.233 (8)	C2—C3	1.382 (10)
O2—Sr1ⁱ	2.516 (5)	C2—C7	1.424 (8)
O3—C8	1.242 (8)	C3—C4	1.390 (10)
O3—Sr1ⁱⁱⁱ	2.528 (5)	C3—H3	0.9300
O3—Sr1^iv	2.711 (5)	C4—C5	1.409 (9)
O4—C8	1.264 (8)	C5—C6	1.390 (10)
O4—Sr1^iv	2.635 (6)	C6—C7	1.383 (9)
O1w—H11	0.8400	C6—H6	0.9300
O1w—H12	0.8400	C7—C8	1.506 (9)
O2w—H21	0.8400	C10—H10	0.9300

O2ⁱ—Sr1—O3ⁱⁱⁱ	159.81 (17)	Sr1—O1w—H12	109.5
O2ⁱ—Sr1—O1w	75.51 (17)	H11—O1w—H12	109.5
O3ⁱⁱⁱ—Sr1—O1w	90.53 (16)	Sr1—O2w—H21	109.5
O2ⁱ—Sr1—O2w	90.93 (18)	Sr1—O2w—H22	109.5
O3ⁱⁱⁱ—Sr1—O2w	75.39 (19)	H21—O2w—H22	109.5
O1w—Sr1—O2w	94.2 (2)	H3w1—O3w—H3w2	107.1
O2ⁱ—Sr1—O1	118.96 (15)	C10—N1—C4	106.1 (7)
O3ⁱⁱⁱ—Sr1—O1	77.00 (17)	C10—N2—C5	105.4 (7)
O1w—Sr1—O1	98.63 (19)	C10—N2—H2N	127.3
O2w—Sr1—O1	149.54 (18)	C5—N2—H2N	127.3
O2ⁱ—Sr1—O4ⁱⁱ	78.71 (17)	O2—C1—O1	122.9 (6)
O3ⁱⁱⁱ—Sr1—O4ⁱⁱ	118.75 (16)	O2—C1—C2	119.6 (6)
O1w—Sr1—O4ⁱⁱ	148.09 (16)	O1—C1—C2	117.4 (6)
O2w—Sr1—O4ⁱⁱ	104.7 (2)	C3—C2—C7	120.5 (6)
O1—Sr1—O4ⁱⁱ	77.8 (2)	C3—C2—C1	117.0 (5)
O2ⁱ—Sr1—O3ⁱⁱ	118.90 (16)	C7—C2—C1	122.2 (6)
O3ⁱⁱⁱ—Sr1—O3ⁱⁱ	73.35 (17)	C2—C3—C4	118.1 (6)
O1w—Sr1—O3ⁱⁱ	163.41 (16)	C2—C3—H3	120.9
O2w—Sr1—O3ⁱⁱ	78.2 (2)	C4—C3—H3	120.9
O1—Sr1—O3ⁱⁱ	81.86 (17)	N1—C4—C3	132.1 (7)
O4ⁱⁱ—Sr1—O3ⁱⁱ	48.37 (14)	N1—C4—C5	106.2 (6)
O2ⁱ—Sr1—O2	72.84 (17)	C3—C4—C5	121.7 (7)
O3ⁱⁱⁱ—Sr1—O2	117.87 (16)	N2—C5—C6	131.4 (7)
O1w—Sr1—O2	74.33 (16)	N2—C5—C4	108.4 (6)
O2w—Sr1—O2	161.91 (19)	C6—C5—C4	120.1 (7)
O1—Sr1—O2	48.13 (14)	C7—C6—C5	118.6 (6)
O4ⁱⁱ—Sr1—O2	80.35 (17)	C7—C6—H6	120.7
O3ⁱⁱ—Sr1—O2	116.38 (15)	C5—C6—H6	120.7
O1—Sr1—C8ⁱⁱ	76.73 (18)	C6—C7—C2	121.0 (6)
C1—O1—Sr1	97.5 (4)	C6—C7—C8	118.7 (5)
C1—O2—Sr1ⁱ	152.2 (5)	C2—C7—C8	119.9 (6)
C1—O2—Sr1	90.8 (4)	O3—C8—O4	122.0 (7)
Sr1ⁱ—O2—Sr1	107.16 (17)	O3—C8—C7	120.0 (5)
C8—O3—Sr1ⁱⁱⁱ	148.1 (5)	O4—C8—C7	117.9 (6)
C8—O3—Sr1^iv	92.8 (4)	N2—C10—N1	113.9 (7)
Sr1ⁱⁱⁱ—O3—Sr1^iv	106.65 (17)	N2—C10—H10	123.0
C8—O4—Sr1^iv	95.9 (4)	N1—C10—H10	123.0
Sr1—O1w—H11	109.5

O2ⁱ—Sr1—O1—C1	−13.7 (5)	C1—C2—C3—C4	−174.6 (6)
O3ⁱⁱⁱ—Sr1—O1—C1	153.0 (5)	C10—N1—C4—C3	179.6 (8)
O1w—Sr1—O1—C1	64.5 (5)	C10—N1—C4—C5	−1.3 (9)
O2w—Sr1—O1—C1	178.4 (4)	C2—C3—C4—N1	−179.4 (8)
O4ⁱⁱ—Sr1—O1—C1	−83.2 (4)	C2—C3—C4—C5	1.6 (10)
O3ⁱⁱ—Sr1—O1—C1	−132.3 (5)	C10—N2—C5—C6	−178.7 (9)
O2—Sr1—O1—C1	4.7 (4)	C10—N2—C5—C4	0.0 (9)
O2ⁱ—Sr1—O2—C1	158.5 (5)	N1—C4—C5—N2	0.8 (9)
O3ⁱⁱⁱ—Sr1—O2—C1	−40.1 (4)	C3—C4—C5—N2	−180.0 (7)
O1w—Sr1—O2—C1	−122.2 (4)	N1—C4—C5—C6	179.7 (7)
O2w—Sr1—O2—C1	−174.5 (6)	C3—C4—C5—C6	−1.1 (11)
O1—Sr1—O2—C1	−4.8 (4)	N2—C5—C6—C7	178.5 (8)
O4ⁱⁱ—Sr1—O2—C1	77.4 (4)	C4—C5—C6—C7	−0.1 (11)
O3ⁱⁱ—Sr1—O2—C1	44.2 (4)	C5—C6—C7—C2	0.7 (10)
O2ⁱ—Sr1—O2—Sr1ⁱ	0.0	C5—C6—C7—C8	−172.0 (6)
O3ⁱⁱⁱ—Sr1—O2—Sr1ⁱ	161.42 (17)	C3—C2—C7—C6	−0.2 (9)
O1w—Sr1—O2—Sr1ⁱ	79.3 (2)	C1—C2—C7—C6	173.1 (6)
O2w—Sr1—O2—Sr1ⁱ	27.0 (7)	C3—C2—C7—C8	172.4 (6)
O1—Sr1—O2—Sr1ⁱ	−163.2 (3)	C1—C2—C7—C8	−14.3 (9)
O4ⁱⁱ—Sr1—O2—Sr1ⁱ	−81.1 (2)	Sr1ⁱⁱⁱ—O3—C8—O4	138.1 (7)
O3ⁱⁱ—Sr1—O2—Sr1ⁱ	−114.29 (18)	Sr1^iv—O3—C8—O4	9.6 (7)
Sr1ⁱ—O2—C1—O1	139.9 (8)	Sr1ⁱⁱⁱ—O3—C8—C7	−39.6 (12)
Sr1—O2—C1—O1	8.8 (7)	Sr1^iv—O3—C8—C7	−168.1 (5)
Sr1ⁱ—O2—C1—C2	−37.6 (12)	Sr1^iv—O4—C8—O3	−9.9 (7)
Sr1—O2—C1—C2	−168.8 (5)	Sr1^iv—O4—C8—C7	167.8 (5)
Sr1—O1—C1—O2	−9.4 (8)	C6—C7—C8—O3	125.0 (7)
Sr1—O1—C1—C2	168.3 (5)	C2—C7—C8—O3	−47.8 (9)
O2—C1—C2—C3	125.8 (7)	C6—C7—C8—O4	−52.8 (9)
O1—C1—C2—C3	−51.9 (9)	C2—C7—C8—O4	134.4 (7)
O2—C1—C2—C7	−47.7 (9)	C5—N2—C10—N1	−0.9 (10)
O1—C1—C2—C7	134.6 (7)	C4—N1—C10—N2	1.4 (10)
C7—C2—C3—C4	−0.9 (9)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1w—H11···O1ⁱⁱⁱ	0.84	1.98	2.81 (1)	167
O1w—H12···O4^v	0.84	2.00	2.83 (1)	173
O2w—H21···O3w^vi	0.84	2.28	2.95 (1)	136
O2w—H22···O4ⁱ	0.84	2.12	2.93 (1)	162
O3w—H3w1···N1	0.84	1.97	2.78 (1)	160
O3w—H3w2···O3w^vii	0.84	2.39	3.01 (2)	132
N2—H2n···O3w^iv	0.88	2.07	2.75 (1)	134

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

Experimental details

Crystal data
Chemical formula	[Sr(C₉H₄N₂O₄)(H₂O)₂]·H₂O
M_r	345.81
Crystal system, space group	Triclinic, P1
Temperature (K)	293
a, b, c (Å)	6.909 (1), 7.093 (1), 13.037 (2)
α, β, γ (°)	80.860 (5), 83.974 (5), 71.795 (4)
V (Å³)	598.2 (2)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	4.54
Crystal size (mm)	0.31 × 0.24 × 0.20

Data collection
Diffractometer	Rigaku R-AXIS RAPID IP diffractometer
Absorption correction	Multi-scan (ABSCOR; Higashi, 1995)
T_min, T_max	0.334, 0.464
No. of measured, independent and observed [I > 2σ(I)] reflections	5799, 2695, 2339
R_int	0.075
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.076, 0.214, 1.05
No. of reflections	2695
No. of parameters	173
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	2.69, −2.12

Computer programs: RAPID-AUTO (Rigaku, 1998), CrystalClear (Rigaku/MSC, 2002), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), OLEX (Dolomanov et al., 2003) and X-SEED (Barbour, 2001), publCIF (Westrip, 2009).

Selected bond lengths (Å) top

Sr1—O1	2.604 (5)	Sr1—O3ⁱⁱⁱ	2.528 (5)
Sr1—O2	2.760 (5)	Sr1—O4ⁱⁱ	2.635 (6)
Sr1—O2ⁱ	2.516 (5)	Sr1—O1w	2.554 (5)
Sr1—O3ⁱⁱ	2.711 (5)	Sr1—O2w	2.579 (6)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1w—H11···O1ⁱⁱⁱ	0.84	1.98	2.81 (1)	167
O1w—H12···O4^iv	0.84	2.00	2.83 (1)	173
O2w—H21···O3w^v	0.84	2.28	2.95 (1)	136
O2w—H22···O4ⁱ	0.84	2.12	2.93 (1)	162
O3w—H3w1···N1	0.84	1.97	2.78 (1)	160
O3w—H3w2···O3w^vi	0.84	2.39	3.01 (2)	132
N2—H2n···O3w^vii	0.88	2.07	2.75 (1)	134

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

Acknowledgements

We thank Guangdong Ocean University and the University of Malaya for supporting this study.

References

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189–191. CrossRef CAS Google Scholar
Dolomanov, O. V., Blake, A. J., Champness, N. R. & Schröder, M. (2003). J. Appl. Cryst. 36, 1283–1284. Web of Science CrossRef CAS IUCr Journals Google Scholar
Gao, Q., Gao, W.-H., Zhang, C.-Y. & Xie, Y.-B. (2008). Acta Cryst. E64, m928. Web of Science CrossRef IUCr Journals Google Scholar
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan. Google Scholar
Lo, Y.-L., Wang, W.-C., Lee, G.-A. & Liu, Y.-H. (2007). Acta Cryst. E63, m2657–m2658. Web of Science CSD CrossRef IUCr Journals Google Scholar
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan. Google Scholar
Rigaku/MSC (2002). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Song, W.-D., Wang, H., Li, S.-J., Qin, P.-W. & Hu, S.-W. (2009a). Acta Cryst. E65, m702. Web of Science CSD CrossRef IUCr Journals Google Scholar
Song, W.-D., Wang, H., Qin, P.-W., Li, S.-J. & Hu, S.-W. (2009b). Acta Cryst. E65, m672. Web of Science CSD CrossRef IUCr Journals Google Scholar
Spek, A. L. (2009). Acta Cryst. D65, 148–155. Web of Science CrossRef CAS IUCr Journals Google Scholar
Westrip, S. P. (2009). publCIF. In preparation. Google Scholar