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In the title compound {systematic name: poly[(μ4-2,5-dichloro-3,6-dihydr­oxy-1,4-benzoquinona­to)bis­[1,2-benzisothia­zol-3(2H)-one 1,1-dioxide]disodium(I)]}, [Na2(C6Cl2O4)(C7H5NO3S)2]n, the NaI atom is coordinated by six O atoms from three chloranilate ions and two saccharin ligands in a distorted octa­hedral geometry. There is an intra­molecular N—H...O hydrogen bond between the saccharin ligand and the chloranilate dianion. Each O atom of the chloranilate ion bonds to two NaI atoms, while the saccharin ligand bridges the NaI atoms via the carbonyl O atom and one of the sulfonyl O atoms. The Na atoms and bridging ligands form layers parallel to the ab plane at z = 0 and z = {1 \over 2}. The shortest Na...Na and Na...Cl distances in the layer are 3.6006 (12) and 3.0680 (7) Å, respectively.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807016728/bt2333sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807016728/bt2333Isup2.hkl
Contains datablock I

CCDC reference: 646629

Key indicators

  • Single-crystal X-ray study
  • T = 170 K
  • Mean [sigma](C-C) = 0.002 Å
  • Some non-H atoms missing
  • R factor = 0.035
  • wR factor = 0.089
  • Data-to-parameter ratio = 18.8

checkCIF/PLATON results

No syntax errors found



Alert level A ABSMU01_ALERT_1_A The ratio of given/expected absorption coefficient lies outside the range 0.90 <> 1.10 Calculated value of mu = 0.287 Value of mu given = 0.573 CHEMW01_ALERT_1_A The ratio of given/expected molecular weight as calculated from the _chemical_formula_sum lies outside the range 0.90 <> 1.10 Calculated formula weight = 309.6560 Formula weight given = 619.3000
Alert level C CHEMW01_ALERT_1_C The difference between the given and expected weight for compound is greater 1 mass unit. Check that all hydrogen atoms have been taken into account. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio PLAT335_ALERT_2_C Large Benzene C-C Range ....... C1 -C3_c 0.16 Ang. PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C1 - C3_c ... 1.54 Ang.
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C10 H5 Cl1 N1 Na1 O5 S1 Atom count from _chemical_formula_moiety:C20 H10 Cl2 N2 Na2 O10 S2 FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C10 H5 Cl1 N1 Na1 O5 S1 Atom count from the _atom_site data: C20 H10 Cl2 N2 Na2 O10 S2 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G ALERT: Large difference may be due to a symmetry error - see SYMMG tests From the CIF: _cell_formula_units_Z 4 From the CIF: _chemical_formula_sum C10 H5 Cl N Na O5 S TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 40.00 80.00 -40.00 H 20.00 40.00 -20.00 Cl 4.00 8.00 -4.00 N 4.00 8.00 -4.00 Na 4.00 8.00 -4.00 O 20.00 40.00 -20.00 S 4.00 8.00 -4.00
2 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Comment top

The NaI atom of the title compound is at the centre of a distorted octahedron and deviates by 0.3422 (8) Å from the mean plane of atoms O1, O2ii, O2iii and O5, which form the equatorial plane (Figs. 1 and 2) [symmetry codes: (ii) -x, -y + 2, -z + 1; (iii) x + 1/2, y + 1/2, z]. The Na—O bond lengths in this plane range from 2.3663 (11) to 2.4024 (11) Å. Atoms O1i and O3iv occupy the axial positions [Na—O1i = 2.4527 (12) and Na—O3iv = 2.5624 (13) Å; symmetry codes: (i) -x + 1/2, -y + 3/2, -z + 1; (iv) x, 1 + y, z].

There is an intermolecular N—H···O hydrogen bond (Table 2). The chloranilate and saccharin ligands bridge the NaI atoms, forming layers parallel to the ab plane at z = 0 and z = 1/2 (Fig. 3).

Related literature top

There are a large number of metal complexes coordinated by the saccharinate anion obtained by deprotonation of the N—H group of saccharin (Baran, 2005; Baran & Yilmaz, 2006; Gumus et al., 2007). However, no crystal data for the metal complex with neutral saccharin as a ligand are available in the Cambridge Structural Database (Version 5.28; Allen, 2002).

Experimental top

The title compound was prepared by mixing chloroform–methanol (1:1 v/v) solutions (20 and 20 ml, respectively) of saccharin sodium (1.0 mmol) and chloranilic acid (1.0 mmol). The combined solution was left at room temperature for 12 h to give red crystals, which were filtered and washed several times with dichloromethane and then dried.

Refinement top

All H atoms were located in a difference map. The N-bound H atom was refined freely, while other H atoms were refined using a riding model, with C—H = 0.93 Å and Uiso(H) = 1.2Ueq(C).

Structure description top

The NaI atom of the title compound is at the centre of a distorted octahedron and deviates by 0.3422 (8) Å from the mean plane of atoms O1, O2ii, O2iii and O5, which form the equatorial plane (Figs. 1 and 2) [symmetry codes: (ii) -x, -y + 2, -z + 1; (iii) x + 1/2, y + 1/2, z]. The Na—O bond lengths in this plane range from 2.3663 (11) to 2.4024 (11) Å. Atoms O1i and O3iv occupy the axial positions [Na—O1i = 2.4527 (12) and Na—O3iv = 2.5624 (13) Å; symmetry codes: (i) -x + 1/2, -y + 3/2, -z + 1; (iv) x, 1 + y, z].

There is an intermolecular N—H···O hydrogen bond (Table 2). The chloranilate and saccharin ligands bridge the NaI atoms, forming layers parallel to the ab plane at z = 0 and z = 1/2 (Fig. 3).

There are a large number of metal complexes coordinated by the saccharinate anion obtained by deprotonation of the N—H group of saccharin (Baran, 2005; Baran & Yilmaz, 2006; Gumus et al., 2007). However, no crystal data for the metal complex with neutral saccharin as a ligand are available in the Cambridge Structural Database (Version 5.28; Allen, 2002).

Computing details top

Data collection: PROCESS-AUTO (Rigaku/MSC, 2004); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: CrystalStructure and PLATON (Spek, 2003).

Figures top
[Figure 1] Fig. 1. The molecular structure of (I), showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level. The intermolecular hydrogen bond is indicated by a dashed line. [Symmetry code: (ii) -x, -y + 2, -z + 1.]
[Figure 2] Fig. 2. A view of the polymeric fragment of (I), showing the distorted octahedral coordination geometry. [Symmetry codes: (i) -x + 1/2, -y + 3/2, -z + 1; (ii) -x, -y + 2, -z + 1; (iii) x + 1/2, y + 1/2, z; (iv) x, 1 + y, z.]
[Figure 3] Fig. 3. The molecular packing of (I), viewed along the b axis. H atoms have been omitted for clarity.
poly[(µ42,5-dichloro-3,6-dihydroxy-1,4-benzoquinonato)bis[1,2- benzisothiazol-3(2H)-one 1,1-dioxide]disodium(I)] top
Crystal data top
[Na2(C6Cl2O4)(C7H5NO3S)2]F(000) = 1248
Mr = 619.30Dx = 1.818 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71075 Å
Hall symbol: -C 2ycCell parameters from 10738 reflections
a = 14.6795 (7) Åθ = 3.0–30.0°
b = 6.2247 (3) ŵ = 0.57 mm1
c = 25.2114 (12) ÅT = 170 K
β = 99.9052 (16)°Platelet, red
V = 2269.36 (19) Å30.55 × 0.23 × 0.07 mm
Z = 4
Data collection top
Rigaku R-AXIS RAPID
diffractometer
2886 reflections with I > 2σ(I)
Detector resolution: 10.00 pixels mm-1Rint = 0.041
ω scansθmax = 30.0°
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
h = 2020
Tmin = 0.704, Tmax = 0.961k = 88
12067 measured reflectionsl = 3535
3306 independent reflections
Refinement top
Refinement on F20 restraints
R[F2 > 2σ(F2)] = 0.035H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.089 w = 1/[σ2(Fo2) + (0.0492P)2 + 1.5311P]
where P = (Fo2 + 2Fc2)/3
S = 1.05(Δ/σ)max < 0.001
3306 reflectionsΔρmax = 0.35 e Å3
176 parametersΔρmin = 0.57 e Å3
Crystal data top
[Na2(C6Cl2O4)(C7H5NO3S)2]V = 2269.36 (19) Å3
Mr = 619.30Z = 4
Monoclinic, C2/cMo Kα radiation
a = 14.6795 (7) ŵ = 0.57 mm1
b = 6.2247 (3) ÅT = 170 K
c = 25.2114 (12) Å0.55 × 0.23 × 0.07 mm
β = 99.9052 (16)°
Data collection top
Rigaku R-AXIS RAPID
diffractometer
3306 independent reflections
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
2886 reflections with I > 2σ(I)
Tmin = 0.704, Tmax = 0.961Rint = 0.041
12067 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0350 restraints
wR(F2) = 0.089H atoms treated by a mixture of independent and constrained refinement
S = 1.05Δρmax = 0.35 e Å3
3306 reflectionsΔρmin = 0.57 e Å3
176 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
xyzUiso*/Ueq
Cl10.04269 (2)0.57417 (5)0.431471 (13)0.01939 (9)
S10.14374 (2)0.30306 (6)0.354874 (14)0.01869 (9)
Na10.27054 (4)0.99825 (9)0.46736 (2)0.01851 (13)
O10.14132 (7)0.76727 (16)0.47271 (4)0.01704 (19)
O20.17515 (7)0.85677 (17)0.47486 (4)0.0179 (2)
O30.13973 (8)0.14915 (19)0.39671 (5)0.0262 (2)
O40.06485 (8)0.3162 (2)0.31285 (5)0.0282 (3)
O50.29399 (8)0.77774 (18)0.39676 (5)0.0255 (2)
N10.17091 (9)0.5440 (2)0.38105 (5)0.0205 (2)
C10.07295 (9)0.8707 (2)0.48321 (5)0.0141 (2)
C20.01884 (9)0.8108 (2)0.46768 (5)0.0152 (2)
C30.09322 (9)0.9193 (2)0.48437 (5)0.0143 (2)
C40.25872 (10)0.6137 (2)0.37689 (6)0.0185 (3)
C50.30221 (10)0.4592 (2)0.34423 (6)0.0190 (3)
C60.38975 (11)0.4763 (3)0.33085 (6)0.0263 (3)
H60.42660.59620.34060.032*
C70.42019 (12)0.3072 (3)0.30234 (7)0.0329 (4)
H70.47920.31250.29360.039*
C80.36383 (13)0.1295 (3)0.28656 (7)0.0324 (4)
H80.38560.01960.26710.039*
C90.27599 (12)0.1142 (3)0.29944 (6)0.0256 (3)
H90.23790.00280.28870.031*
C100.24751 (10)0.2814 (2)0.32910 (6)0.0194 (3)
H10.1459 (17)0.599 (4)0.4051 (10)0.041 (6)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cl10.01556 (15)0.01872 (16)0.02493 (17)0.00330 (12)0.00638 (12)0.00676 (12)
S10.01455 (16)0.02209 (17)0.02003 (17)0.00378 (12)0.00463 (12)0.00048 (12)
Na10.0136 (3)0.0178 (3)0.0256 (3)0.0015 (2)0.0077 (2)0.0026 (2)
O10.0108 (4)0.0185 (5)0.0231 (5)0.0011 (4)0.0067 (3)0.0014 (4)
O20.0092 (4)0.0205 (5)0.0246 (5)0.0033 (4)0.0051 (3)0.0039 (4)
O30.0252 (6)0.0282 (6)0.0266 (5)0.0036 (5)0.0081 (4)0.0057 (4)
O40.0175 (5)0.0391 (7)0.0265 (6)0.0066 (5)0.0003 (4)0.0015 (5)
O50.0258 (6)0.0227 (5)0.0303 (6)0.0070 (4)0.0111 (4)0.0061 (4)
N10.0148 (5)0.0229 (6)0.0257 (6)0.0014 (5)0.0089 (5)0.0050 (5)
C10.0111 (5)0.0152 (6)0.0172 (5)0.0003 (5)0.0057 (4)0.0008 (5)
C20.0114 (5)0.0148 (6)0.0201 (6)0.0020 (5)0.0044 (5)0.0046 (5)
C30.0109 (5)0.0158 (6)0.0171 (5)0.0009 (5)0.0047 (4)0.0005 (5)
C40.0158 (6)0.0205 (6)0.0204 (6)0.0010 (5)0.0065 (5)0.0002 (5)
C50.0168 (6)0.0225 (6)0.0191 (6)0.0012 (5)0.0069 (5)0.0012 (5)
C60.0183 (7)0.0362 (8)0.0269 (7)0.0025 (6)0.0104 (6)0.0020 (6)
C70.0232 (8)0.0520 (11)0.0268 (8)0.0063 (7)0.0138 (6)0.0025 (7)
C80.0338 (9)0.0409 (10)0.0245 (7)0.0117 (8)0.0107 (6)0.0067 (7)
C90.0299 (8)0.0254 (7)0.0218 (7)0.0015 (6)0.0057 (6)0.0041 (6)
C100.0181 (6)0.0230 (7)0.0180 (6)0.0004 (5)0.0060 (5)0.0005 (5)
Geometric parameters (Å, º) top
Cl1—C21.7365 (13)N1—H10.84 (3)
S1—O31.4336 (12)C1—C21.3879 (18)
S1—O41.4312 (11)C1—C3ii1.5431 (18)
S1—N11.6595 (13)C2—C31.4085 (18)
S1—C101.7610 (15)C4—C51.480 (2)
Na1—O12.4024 (11)C5—C61.388 (2)
Na1—O1i2.4527 (12)C5—C101.382 (2)
Na1—O2ii2.3663 (11)C6—C71.391 (2)
Na1—O2iii2.3664 (12)C6—H60.93
Na1—O3iv2.5624 (13)C7—C81.398 (3)
Na1—O52.3198 (13)C7—H70.93
O1—C11.2582 (16)C8—C91.386 (3)
O2—C31.2475 (15)C8—H80.93
O5—C41.2134 (19)C9—C101.387 (2)
N1—C41.3810 (18)C9—H90.93
Na1···Cl1iii3.0680 (7)Na1···Na1i3.6006 (12)
Na1···C13.0986 (14)Na1···Na1v3.6381 (11)
Na1···C3ii3.0998 (14)
O4—S1—O3116.90 (7)S1—N1—H1123.7 (18)
O4—S1—N1110.57 (7)O1—C1—C2125.03 (12)
O3—S1—N1110.42 (7)O1—C1—C3ii117.17 (11)
O4—S1—C10111.86 (7)C2—C1—C3ii117.80 (11)
O3—S1—C10111.58 (7)C1—C2—C3123.49 (12)
N1—S1—C1092.98 (7)C1—C2—Cl1118.31 (10)
O1—Na1—O1i84.27 (4)C3—C2—Cl1117.86 (10)
O2ii—Na1—O168.72 (4)O2—C3—C2124.33 (12)
O2iii—Na1—O1144.92 (4)O2—C3—C1ii117.26 (11)
O2ii—Na1—O1i100.55 (4)C2—C3—C1ii118.41 (11)
O2iii—Na1—O1i116.84 (4)O5—C4—N1124.78 (14)
O5—Na1—O184.94 (4)O5—C4—C5125.61 (14)
O5—Na1—O1i86.66 (4)N1—C4—C5109.61 (12)
O2ii—Na1—O2iii79.52 (4)C10—C5—C6120.85 (14)
O5—Na1—O2ii151.60 (5)C10—C5—C4112.84 (13)
O5—Na1—O2iii121.79 (5)C6—C5—C4126.25 (14)
O1—Na1—O3iv75.75 (4)C5—C6—C7117.44 (16)
O1i—Na1—O3iv158.14 (4)C5—C6—H6121.3
O2ii—Na1—O3iv80.56 (4)C7—C6—H6121.3
O2iii—Na1—O3iv84.93 (4)C6—C7—C8121.27 (16)
O5—Na1—O3iv82.87 (5)C6—C7—H7119.4
Na1—O1—Na1i95.73 (4)C8—C7—H7119.4
C1—O1—Na1111.82 (9)C9—C8—C7121.09 (15)
C1—O1—Na1i124.80 (9)C9—C8—H8119.5
C3—O2—Na1ii114.55 (9)C7—C8—H8119.5
C3—O2—Na1vi127.60 (9)C8—C9—C10116.99 (15)
Na1ii—O2—Na1vi100.48 (4)C8—C9—H9121.5
S1—O3—Na1vii129.47 (7)C10—C9—H9121.5
C4—O5—Na1134.88 (10)C5—C10—C9122.33 (14)
C4—N1—S1114.67 (10)C5—C10—S1109.58 (11)
C4—N1—H1117.3 (17)C9—C10—S1128.06 (12)
O5—Na1—O1—C1141.72 (9)Na1vi—O2—C3—C1ii147.38 (9)
O2ii—Na1—O1—C127.46 (9)Na1vi—O2—C3—Na1ii127.17 (13)
O2iii—Na1—O1—C10.86 (13)C1—C2—C3—O2173.24 (13)
O1i—Na1—O1—C1131.15 (10)Cl1—C2—C3—O20.03 (19)
O3iv—Na1—O1—C157.80 (9)C1—C2—C3—C1ii6.5 (2)
O5—Na1—O1—Na1i87.14 (4)Cl1—C2—C3—C1ii179.74 (9)
O2ii—Na1—O1—Na1i103.69 (4)C1—C2—C3—Na1ii126.4 (2)
O2iii—Na1—O1—Na1i130.29 (7)Cl1—C2—C3—Na1ii46.8 (3)
O1i—Na1—O1—Na1i0.0Na1—O5—C4—N122.3 (2)
O3iv—Na1—O1—Na1i171.05 (5)Na1—O5—C4—C5158.35 (11)
O4—S1—O3—Na1vii164.12 (8)S1—N1—C4—O5174.54 (12)
N1—S1—O3—Na1vii68.34 (10)S1—N1—C4—C55.99 (16)
C10—S1—O3—Na1vii33.61 (11)O5—C4—C5—C10176.99 (14)
O2ii—Na1—O5—C426.6 (2)N1—C4—C5—C103.55 (18)
O2iii—Na1—O5—C4160.78 (14)O5—C4—C5—C60.2 (3)
O1—Na1—O5—C45.05 (15)N1—C4—C5—C6179.24 (15)
O1i—Na1—O5—C479.49 (15)C10—C5—C6—C70.7 (2)
O3iv—Na1—O5—C481.28 (15)C4—C5—C6—C7176.30 (15)
O4—S1—N1—C4120.06 (11)C5—C6—C7—C81.6 (3)
O3—S1—N1—C4108.99 (12)C6—C7—C8—C90.9 (3)
C10—S1—N1—C45.37 (12)C7—C8—C9—C100.8 (3)
Na1—O1—C1—C2151.68 (11)C6—C5—C10—C91.0 (2)
Na1i—O1—C1—C294.16 (15)C4—C5—C10—C9178.39 (14)
Na1—O1—C1—C3ii28.03 (14)C6—C5—C10—S1177.20 (12)
Na1i—O1—C1—C3ii86.12 (13)C4—C5—C10—S10.18 (16)
Na1i—O1—C1—Na1114.16 (11)C8—C9—C10—C51.7 (2)
O1—C1—C2—C3173.81 (13)C8—C9—C10—S1176.12 (13)
C3ii—C1—C2—C36.5 (2)O4—S1—C10—C5116.60 (11)
O1—C1—C2—Cl10.62 (19)O3—S1—C10—C5110.32 (11)
C3ii—C1—C2—Cl1179.67 (9)N1—S1—C10—C53.03 (12)
Na1ii—O2—C3—C2159.56 (11)O4—S1—C10—C965.31 (16)
Na1vi—O2—C3—C232.39 (19)O3—S1—C10—C967.76 (15)
Na1ii—O2—C3—C1ii20.21 (14)N1—S1—C10—C9178.89 (14)
Symmetry codes: (i) x+1/2, y+3/2, z+1; (ii) x, y+2, z+1; (iii) x+1/2, y+1/2, z; (iv) x, y+1, z; (v) x+1/2, y+5/2, z+1; (vi) x1/2, y1/2, z; (vii) x, y1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1···O10.84 (3)2.01 (2)2.7938 (16)156 (2)

Experimental details

Crystal data
Chemical formula[Na2(C6Cl2O4)(C7H5NO3S)2]
Mr619.30
Crystal system, space groupMonoclinic, C2/c
Temperature (K)170
a, b, c (Å)14.6795 (7), 6.2247 (3), 25.2114 (12)
β (°) 99.9052 (16)
V3)2269.36 (19)
Z4
Radiation typeMo Kα
µ (mm1)0.57
Crystal size (mm)0.55 × 0.23 × 0.07
Data collection
DiffractometerRigaku R-AXIS RAPID
Absorption correctionMulti-scan
(ABSCOR; Higashi, 1995)
Tmin, Tmax0.704, 0.961
No. of measured, independent and
observed [I > 2σ(I)] reflections
12067, 3306, 2886
Rint0.041
(sin θ/λ)max1)0.703
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.035, 0.089, 1.05
No. of reflections3306
No. of parameters176
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å3)0.35, 0.57

Computer programs: PROCESS-AUTO (Rigaku/MSC, 2004), PROCESS-AUTO, CrystalStructure (Rigaku/MSC, 2004), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEP-3 (Farrugia, 1997), CrystalStructure and PLATON (Spek, 2003).

Selected bond lengths (Å) top
Na1—O12.4024 (11)Na1—O2iii2.3664 (12)
Na1—O1i2.4527 (12)Na1—O3iv2.5624 (13)
Na1—O2ii2.3663 (11)Na1—O52.3198 (13)
Symmetry codes: (i) x+1/2, y+3/2, z+1; (ii) x, y+2, z+1; (iii) x+1/2, y+1/2, z; (iv) x, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1···O10.84 (3)2.01 (2)2.7938 (16)156 (2)
 

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