catena-Poly[[[diaqua­lanthanum(III)]-tetra­kis[μ-N-(4-acetamido­phenyl­sulfon­yl)­glycinato]-[diaqua­lanthanum(III)]-bis­[μ-N-(4-acetamido­phenyl­sulfon­yl)­glycinato]] 4,4′-bipyridine disolvate tetra­deca­hydrate]

Jian-Ge Wang; Jian-Hua Qin

doi:10.1107/S1600536808031450

. 2008 Oct 4;64(Pt 11):m1364–m1365. doi: 10.1107/S1600536808031450

catena-Poly[[[diaqualanthanum(III)]-tetrakis[μ-N-(4-acetamidophenylsulfonyl)glycinato]-[diaqualanthanum(III)]-bis[μ-N-(4-acetamidophenylsulfonyl)glycinato]] 4,4′-bipyridine disolvate tetradecahydrate]

Jian-Ge Wang ^a,^*, Jian-Hua Qin ^a

PMCID: PMC2959705 PMID: 21580824

Abstract

In the title compound, {[La₂(C₁₀H₁₁N₂O₅S)₆(H₂O)₄]·2C₁₀H₈N₂·14H₂O}_n, the La^III ions are in a slightly distorted bicapped trigonal prismatic geometry, and are linked by six carboxylate groups in a syn–syn bidentate bridging fashion to form a one-dimensional inorganic–organic alternating linear chain. These polymeric chains generate microchannels extending along [100], and these cavities are occupied by discrete tetradecameric water clusters, which interact with their surroundings and finally furnish the three-dimensional supramolecular network via 15 O—H⋯O, one O—H⋯S, two O—H⋯N and six N—H⋯O classical hydrogen bonds. 4,4-Bipyridine acts as an inserting component and hydrogen-bond acceptor, and it is a nonplanar molecule with a dihedral angle of 33.12 (13)° between the pyridine rings. Owing to the numerous classical hydrogen bonds, the observed weak intermolecular C—H⋯O, C—H⋯π and π–π stacking interactions can be neglected with regard to stabilizing the network.

Related literature

For the structure of a related complex, see: Hu et al. (2007 ▶). For other related literature on lanthanides, see: Guo et al. (2005 ▶); Pan et al. (2003 ▶); Zhao et al. (2004 ▶); Zheng et al. (2004 ▶).

Experimental

Crystal data

[La₂(C₁₀H₁₁N₂O₅S)₆(H₂O)₄]·2C₁₀H₈N₂·14H₂O
M _r = 2542.08
Triclinic,
a = 9.6379 (8) Å
b = 16.9589 (13) Å
c = 17.6005 (14) Å
α = 99.971 (1)°
β = 105.758 (1)°
γ = 93.692 (1)°
V = 2707.9 (4) Å³
Z = 1
Mo Kα radiation
μ = 0.99 mm⁻¹
T = 291 (2) K
0.25 × 0.13 × 0.08 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 1997 ▶) T _min = 0.790, T _max = 0.925
20875 measured reflections
10013 independent reflections
8632 reflections with I > 2σ(I)
R _int = 0.028

Refinement

R[F ² > 2σ(F ²)] = 0.032
wR(F ²) = 0.072
S = 1.02
10013 reflections
688 parameters
H-atom parameters constrained
Δρ_max = 0.39 e Å⁻³
Δρ_min = −0.48 e Å⁻³

Data collection: SMART (Bruker, 1997 ▶); cell refinement: SAINT (Bruker, 1997 ▶); 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.

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808031450/si2111sup1.cif

e-64-m1364-sup1.cif^{(39.6KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808031450/si2111Isup2.hkl

e-64-m1364-Isup2.hkl^{(489.6KB, hkl)}

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

Table 1. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1W⋯O23ⁱ	0.82	2.11	2.872 (3)	153
O1—H2W⋯O2ⁱⁱ	0.83	1.99	2.818 (3)	179
O2—H3W⋯N2	0.84	2.00	2.827 (4)	171
O2—H4W⋯O4ⁱⁱ	0.83	1.98	2.744 (3)	154
O3—H5W⋯O9ⁱⁱⁱ	0.85	1.98	2.801 (4)	162
O3—H6W⋯O14^iv	0.84	1.94	2.772 (3)	175
O4—H7W⋯N1^v	0.83	1.99	2.781 (4)	158
O4—H8W⋯O12^vi	0.82	2.41	3.166 (3)	154
O4—H8W⋯S1^vi	0.82	2.94	3.711 (3)	156
O5—H9W⋯O4	0.84	2.04	2.865 (4)	167
O5—H10W⋯O11	0.83	2.03	2.844 (4)	168
O6—H11W⋯O5	0.84	1.91	2.716 (4)	160
O6—H12W⋯O18	0.84	2.01	2.805 (3)	158
O7—H13W⋯O13	0.83	2.12	2.914 (4)	160
O7—H14W⋯O6	0.84	2.00	2.810 (4)	165
O8—H15W⋯O19^v	0.83	2.00	2.722 (4)	145
O8—H16W⋯O7	0.91	1.88	2.708 (4)	151
O9—H17W⋯O8	0.83	2.00	2.751 (4)	151
N3—H3⋯O6^vii	0.86	2.15	3.007 (4)	171
N4—H4⋯O16^viii	0.85	2.30	3.151 (3)	173
N5—H5⋯O3^vii	0.86	2.06	2.921 (4)	177
N6—H6⋯O20	0.86	2.19	3.040 (3)	169
N7—H7⋯O8^ix	0.86	2.02	2.878 (4)	172
N8—H8⋯O17	0.86	2.33	2.974 (3)	131

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Symmetry codes: (i) Inline graphic ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) ; (viii) ; (ix) .

Acknowledgments

The authors thank Luo Yang Normal University for supporting thise work.

supplementary crystallographic information

Comment

Organic carboxylates or N-donor ligands have been widely used in construction of coordination polymers containing transition metals. Meanwhile, in contrast to the well investigated transition metal system, the lanthanide coordination polymers have been less studied (Pan et al., 2003; Zhao et al., 2004; Guo et al., 2005). Whereas, lanthanide ions, with their high and variable coordination numbers, flexible coordination environments and luminescence properties, provide unique opportunities for discovery of unusual network topologies, biochemical sensors and fluoroimmunoassays (Hu et al., 2007; Zheng et al., 2004).

In the title compound, the asymmetric structure unit consists of one La^III ion, three N—p-acetamidobenzenesulfonyl-glycine acid(abglyH₂) ligands, two coordinated water molecules, one uncoordinated 4,4-bipy molecule and seven lattice water molecules. The coordination geometry of the La ion shows a slightly distorted bicapped trigonal prism (Fig. 1). The alternation of two and four bridging abglyH^- ligands between adjacent La centers gives one-dimensional inorganic-organic alternating linear chains (Fig. 2), which are further connected to generate a three-dimensional supramolecular structure, by O—H···O, O—H···N, and N—H···O hydrogen bonds (Table 1). 4,4-bipyridine acts as an inserting component that has a subtle effect on the structural characteristics by self-assembled control, not as an excellent rodlike bifunctional bridging ligand as in the other multidimensional mixed-ligand coordination systems, which may result from the nature of lanthanide ions having a strong affinity to oxygen atom. 4,4-bipyridine is a non-planar molecule and the dihedral angle is 33.12 (13)°.

Experimental

The mixture of La(NO₃)₃(0.2 mmol) and N-p-acetamidobenzenesulfonyl-glycine acid (abglyH₂)(0.6 mmol), was stirred into 15 ml aqueous solution. Then the pH was adjusted to 5 or so with 1 M NaOH. And then 3 ml ethanol solution of 4, 4'-bipyridine (0.2 mmol) was added. The reaction mixture was heated on a water bath for 10 h at 343 K, and then filtered. Colorless crystals were produced after 20 days.