Poly[(μ(2)-2-hydr-oxy-2-methyl-propionato-κO,O:O)(μ(2)-2-hydr-oxy-2-methyl-propionato-κO:κO)dioxido-uranium(VI)].

In the title compound, [UO(2)(C(4)H(7)O(3))(2)](n), the dioxouranium(VI) units are linked by 2-hydr-oxy-2-methyl-propionate ligands into a honeycomb structure. The U atom is seven-coordinate in a penta-gonal-bipyramidal geometry. The uncoordinated hydr-oxy groups of the 2-hydr-oxy-2-methyl-propionate ions inter-act with the O atom of the uranyl and with the coordinated hydr-oxy group of an adjacent 2-hydr-oxy-2-methyl-propionate ion through O-H⋯O hydrogen bonds.

Related literature

For related structures, see: Back et al. (2007 ▶); Bombieri et al. (1973 ▶, 1974 ▶); Jiang et al. (2002 ▶); Thuéry (2006 ▶, 2007a ▶,b ▶,c ▶, 2008 ▶); Xie et al. (2003 ▶); Yokoyama et al. (1990 ▶).

Experimental

Crystal data

[U(C4H7O3)2O2]

M = 476.22

Monoclinic,

a = 9.009 (2) Å

b = 8.237 (2) Å

c = 17.552 (6) Å

β = 98.246 (9)°

V = 1289.0 (6) Å3

Z = 4

Mo Kα radiation

μ = 12.62 mm−1

T = 200 K

0.20 × 0.11 × 0.03 mm

Data collection

Rigaku R-AXIS RAPID Imaging Plate diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.233, T max = 0.685

11887 measured reflections

2949 independent reflections

2547 reflections with I > 2σ(I)

R int = 0.050

Refinement

R[F 2 > 2σ(F 2)] = 0.029

wR(F 2) = 0.100

S = 0.86

2949 reflections

160 parameters

H-atom parameters constrained

Δρmax = 0.99 e Å−3

Δρmin = −2.15 e Å−3

Data collection: PROCESS-AUTO (Rigaku, 1998 ▶); cell refinement: PROCESS-AUTO; data reduction: TEXSAN (Rigaku/MSC, 2004 ▶); program(s) used to solve structure: SIR92 (Altomare et al., 1994 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶) and Mercury (Macrae et al., 2006 ▶); software used to prepare material for publication: TEXSAN.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809006059/ng2546sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809006059/ng2546Isup2.hkl

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

[U(C4H7O3)2O2]	F(000) = 872.00
Mr = 476.22	Dx = 2.454 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.7107 Å
Hall symbol: -P 2yn	Cell parameters from 8716 reflections
a = 9.009 (2) Å	θ = 3.0–27.5°
b = 8.237 (2) Å	µ = 12.62 mm−1
c = 17.552 (6) Å	T = 200 K
β = 98.246 (9)°	Platelet, yellow
V = 1289.0 (6) Å3	0.20 × 0.11 × 0.03 mm
Z = 4

Rigaku R-AXIS RAPID Imaging Plate diffractometer	2949 independent reflections
Radiation source: fine-focus sealed tube	2547 reflections with I > 2σ(I)
graphite	Rint = 0.050
Detector resolution: 10.00 pixels mm-1	θmax = 27.5°, θmin = 3.0°
ω scans	h = 12→11
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −9→10
Tmin = 0.233, Tmax = 0.685	l = −22→22
11887 measured reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.029	H-atom parameters constrained
wR(F2) = 0.100	w = 1/[σ2(Fo2) + (0.079P)2 + 5.354P] where P = (Fo2 + 2Fc2)/3
S = 0.86	(Δ/σ)max = 0.001
2949 reflections	Δρmax = 0.99 e Å−3
160 parameters	Δρmin = −2.15 e Å−3
Primary atom site location: structure-invariant direct methods

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
U(1)	0.63772 (2)	0.19668 (3)	0.62425 (1)	0.0180 (1)
O(1)	0.7538 (6)	0.3101 (5)	0.5695 (3)	0.028 (1)
O(2)	0.5188 (6)	0.0891 (6)	0.6778 (3)	0.032 (1)
O(3)	0.4753 (5)	0.4342 (5)	0.6250 (3)	0.026 (1)
O(4)	0.6920 (5)	0.3869 (6)	0.7286 (3)	0.029 (1)
O(5)	0.6435 (5)	0.6018 (6)	0.7991 (3)	0.0252 (10)
O(6)	0.2338 (5)	0.4208 (5)	0.5248 (3)	0.0241 (10)
O(7)	0.7009 (6)	−0.0415 (6)	0.5630 (3)	0.034 (1)
O(8)	0.4514 (6)	0.1975 (5)	0.5169 (3)	0.030 (1)
C(1)	0.6115 (7)	0.5015 (8)	0.7435 (3)	0.022 (1)
C(2)	0.4611 (7)	0.5295 (8)	0.6929 (4)	0.021 (1)
C(3)	0.3351 (8)	0.463 (1)	0.7324 (4)	0.036 (2)
C(4)	0.4392 (10)	0.7064 (7)	0.6704 (5)	0.030 (2)
C(5)	0.3241 (7)	0.1601 (8)	0.4820 (4)	0.020 (1)
C(6)	0.1889 (7)	0.2626 (8)	0.4949 (4)	0.021 (1)
C(7)	0.1191 (10)	0.1790 (9)	0.5588 (5)	0.039 (2)
C(8)	0.0781 (10)	0.280 (1)	0.4211 (5)	0.038 (2)
H(1)	0.3277	0.5253	0.7779	0.0356*
H(2)	0.2423	0.4698	0.6980	0.0356*
H(3)	0.3555	0.3516	0.7462	0.0356*
H(4)	0.4388	0.7711	0.7159	0.0297*
H(5)	0.3454	0.7192	0.6374	0.0297*
H(6)	0.5196	0.7409	0.6438	0.0297*
H(7)	0.0321	0.2384	0.5684	0.0386*
H(8)	0.1908	0.1757	0.6048	0.0386*
H(9)	0.0907	0.0703	0.5432	0.0386*
H(10)	−0.0100	0.3359	0.4322	0.0383*
H(11)	0.0507	0.1746	0.4007	0.0383*
H(12)	0.1237	0.3413	0.3841	0.0383*
H(13)	0.4210	0.4724	0.5878	0.0255*
H(14)	0.2178	0.4883	0.4902	0.0241*

	U11	U22	U33	U12	U13	U23
U(1)	0.0192 (2)	0.0158 (2)	0.0185 (2)	0.00083 (8)	0.0005 (1)	−0.00114 (8)
O(1)	0.022 (3)	0.030 (3)	0.032 (3)	0.007 (2)	0.004 (2)	0.007 (2)
O(2)	0.029 (3)	0.025 (2)	0.044 (3)	0.005 (2)	0.009 (2)	0.007 (2)
O(3)	0.034 (3)	0.022 (2)	0.017 (2)	0.008 (2)	−0.008 (2)	−0.005 (2)
O(4)	0.029 (3)	0.025 (2)	0.030 (2)	0.007 (2)	−0.004 (2)	−0.006 (2)
O(5)	0.028 (2)	0.027 (2)	0.020 (2)	−0.008 (2)	0.001 (2)	−0.010 (2)
O(6)	0.030 (2)	0.016 (2)	0.023 (2)	0.002 (2)	−0.005 (2)	−0.001 (2)
O(7)	0.032 (3)	0.027 (3)	0.038 (3)	0.009 (2)	−0.008 (2)	−0.018 (2)
O(8)	0.023 (3)	0.033 (3)	0.033 (3)	0.005 (2)	−0.002 (2)	−0.008 (2)
C(1)	0.023 (3)	0.024 (3)	0.017 (3)	−0.007 (3)	0.000 (2)	−0.001 (3)
C(2)	0.027 (3)	0.016 (3)	0.020 (3)	0.000 (3)	0.000 (2)	−0.008 (2)
C(3)	0.032 (4)	0.042 (4)	0.035 (4)	−0.012 (3)	0.009 (3)	−0.013 (3)
C(4)	0.040 (4)	0.015 (3)	0.032 (4)	0.004 (3)	−0.001 (3)	−0.004 (3)
C(5)	0.022 (3)	0.019 (3)	0.020 (3)	0.009 (3)	0.001 (2)	0.002 (3)
C(6)	0.021 (3)	0.018 (3)	0.022 (3)	0.013 (3)	−0.003 (2)	0.003 (3)
C(7)	0.035 (4)	0.036 (4)	0.048 (5)	−0.015 (3)	0.017 (4)	−0.005 (3)
C(8)	0.035 (4)	0.035 (4)	0.040 (4)	0.014 (3)	−0.012 (4)	−0.004 (4)

U(1)—O(1)	1.783 (5)	C(2)—C(4)	1.514 (9)
U(1)—O(2)	1.762 (6)	C(3)—H(1)	0.960
U(1)—O(3)	2.444 (5)	C(3)—H(2)	0.960
U(1)—O(4)	2.407 (5)	C(3)—H(3)	0.960
U(1)—O(5)i	2.355 (4)	C(4)—H(4)	0.960
U(1)—O(7)	2.346 (5)	C(4)—H(5)	0.960
U(1)—O(8)	2.336 (5)	C(4)—H(6)	0.960
O(3)—C(2)	1.449 (8)	C(5)—C(6)	1.525 (10)
O(3)—H(13)	0.820	C(6)—C(7)	1.53 (1)
O(4)—C(1)	1.241 (8)	C(6)—C(8)	1.523 (10)
O(5)—C(1)	1.280 (8)	C(7)—H(7)	0.960
O(6)—C(6)	1.441 (8)	C(7)—H(8)	0.960
O(6)—H(14)	0.820	C(7)—H(9)	0.960
O(7)—C(5)ii	1.257 (8)	C(8)—H(10)	0.960
O(8)—C(5)	1.259 (8)	C(8)—H(11)	0.960
C(1)—C(2)	1.528 (8)	C(8)—H(12)	0.960
C(2)—C(3)	1.51 (1)
O(1)—U(1)—O(2)	178.3 (2)	C(1)—C(2)—C(4)	111.6 (6)
O(1)—U(1)—O(3)	88.9 (2)	C(3)—C(2)—C(4)	112.9 (6)
O(1)—U(1)—O(4)	89.9 (2)	C(2)—C(3)—H(1)	109.5
O(1)—U(1)—O(5)i	88.5 (2)	C(2)—C(3)—H(2)	109.5
O(1)—U(1)—O(7)	89.5 (2)	C(2)—C(3)—H(3)	109.5
O(1)—U(1)—O(8)	88.5 (2)	H(1)—C(3)—H(2)	109.5
O(2)—U(1)—O(3)	89.4 (2)	H(1)—C(3)—H(3)	109.5
O(2)—U(1)—O(4)	89.7 (2)	H(2)—C(3)—H(3)	109.5
O(2)—U(1)—O(5)i	93.0 (2)	C(2)—C(4)—H(4)	109.5
O(2)—U(1)—O(7)	91.7 (2)	C(2)—C(4)—H(5)	109.5
O(2)—U(1)—O(8)	90.6 (2)	C(2)—C(4)—H(6)	109.5
O(3)—U(1)—O(4)	62.1 (1)	H(4)—C(4)—H(5)	109.5
O(3)—U(1)—O(5)i	135.7 (2)	H(4)—C(4)—H(6)	109.5
O(3)—U(1)—O(7)	148.9 (2)	H(5)—C(4)—H(6)	109.5
O(3)—U(1)—O(8)	68.9 (2)	O(7)ii—C(5)—O(8)	124.4 (6)
O(4)—U(1)—O(5)i	73.7 (2)	O(7)ii—C(5)—C(6)	116.7 (6)
O(4)—U(1)—O(7)	149.0 (2)	O(8)—C(5)—C(6)	119.0 (6)
O(4)—U(1)—O(8)	131.0 (2)	O(6)—C(6)—C(5)	111.4 (5)
O(5)i—U(1)—O(7)	75.3 (2)	O(6)—C(6)—C(7)	105.3 (5)
O(5)i—U(1)—O(8)	155.1 (2)	O(6)—C(6)—C(8)	109.8 (6)
O(7)—U(1)—O(8)	80.0 (2)	C(5)—C(6)—C(7)	106.3 (6)
U(1)—O(3)—C(2)	124.2 (3)	C(5)—C(6)—C(8)	111.5 (6)
U(1)—O(3)—H(13)	126.3	C(7)—C(6)—C(8)	112.2 (6)
C(2)—O(3)—H(13)	109.5	C(6)—C(7)—H(7)	109.5
U(1)—O(4)—C(1)	126.5 (4)	C(6)—C(7)—H(8)	109.5
U(1)iii—O(5)—C(1)	136.7 (4)	C(6)—C(7)—H(9)	109.5
C(6)—O(6)—H(14)	109.5	H(7)—C(7)—H(8)	109.5
U(1)—O(7)—C(5)ii	154.9 (4)	H(7)—C(7)—H(9)	109.5
U(1)—O(8)—C(5)	153.0 (5)	H(8)—C(7)—H(9)	109.5
O(4)—C(1)—O(5)	125.3 (6)	C(6)—C(8)—H(10)	109.5
O(4)—C(1)—C(2)	119.3 (5)	C(6)—C(8)—H(11)	109.5
O(5)—C(1)—C(2)	115.4 (6)	C(6)—C(8)—H(12)	109.5
O(3)—C(2)—C(1)	102.7 (5)	H(10)—C(8)—H(11)	109.5
O(3)—C(2)—C(3)	109.9 (5)	H(10)—C(8)—H(12)	109.5
O(3)—C(2)—C(4)	109.3 (5)	H(11)—C(8)—H(12)	109.5
C(1)—C(2)—C(3)	109.9 (5)

D—H···A	D—H	H···A	D···A	D—H···A
O(3)—H(13)···O(6)	0.820	1.927	2.597 (6)	138.188
O(6)—H(14)···O(1)iv	0.820	1.999	2.777 (6)	158.201

Table 1

Selected bond lengths (Å)

U1—O1	1.783 (5)
U1—O2	1.762 (6)
U1—O3	2.444 (5)
U1—O4	2.407 (5)
U1—O5i	2.355 (4)
U1—O7	2.346 (5)
U1—O7	2.336 (5)

Symmetry code: (i) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H13⋯O6	0.82	1.93	2.597 (6)	138
O6—H14⋯O1ii	0.82	2.00	2.777 (6)	158

Symmetry code: (ii) .