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In the title compound, [Na(C8H9N2O3S)]n, each NaI atom is five-coordinated by two N atoms from one 2-[(2-pyridylmethyl­ene)amino]ethanesulfonate (paesa) anion and three O atoms from three other paesa anions, in a distorted tetra­gonal–pyramidal geometry. The sulfonate O atoms bridge the NaI atoms to form a two-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806043352/ci2187sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806043352/ci2187Isup2.hkl
Contains datablock I

CCDC reference: 627459

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.043
  • wR factor = 0.117
  • Data-to-parameter ratio = 15.2

checkCIF/PLATON results

No syntax errors found



Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.101 PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.10 PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.16 Ratio
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

Poly[[µ3-2-[(2-Pyridylmethylene)amino]ethanesulfonato- κ5N,N':O:O':O'']sodium(I)] top
Crystal data top
[Na(C8H9N2O3S)]F(000) = 488
Mr = 236.23Dx = 1.571 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 2068 reflections
a = 10.3001 (14) Åθ = 2.0–26.5°
b = 10.1413 (14) ŵ = 0.35 mm1
c = 9.6613 (13) ÅT = 293 K
β = 98.198 (2)°Block, yellow
V = 998.9 (2) Å30.13 × 0.10 × 0.08 mm
Z = 4
Data collection top
Bruker APEXII area-detector
diffractometer
2062 independent reflections
Radiation source: fine-focus sealed tube1921 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.101
φ and ω scansθmax = 26.5°, θmin = 2.0°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 125
Tmin = 0.956, Tmax = 0.978k = 1212
5474 measured reflectionsl = 1112
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.043Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.117H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0653P)2 + 0.2404P]
where P = (Fo2 + 2Fc2)/3
2062 reflections(Δ/σ)max = 0.001
136 parametersΔρmax = 0.45 e Å3
0 restraintsΔρmin = 0.54 e Å3
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
C10.4797 (2)0.4958 (2)0.6908 (2)0.0426 (5)
H10.44710.55040.61650.051*
C20.6110 (2)0.4629 (2)0.7069 (2)0.0461 (5)
H20.66480.49370.64440.055*
C30.66075 (19)0.3837 (2)0.8172 (2)0.0473 (5)
H30.74890.36000.83060.057*
C40.57776 (19)0.3399 (2)0.9080 (2)0.0405 (5)
H40.60930.28740.98430.049*
C50.44642 (16)0.37564 (17)0.88291 (18)0.0321 (4)
C60.35470 (19)0.32853 (18)0.9772 (2)0.0365 (4)
H60.38640.27451.05220.044*
C70.15162 (19)0.3073 (2)1.05561 (19)0.0385 (4)
H7A0.11180.37901.10090.046*
H7B0.20330.25461.12710.046*
C80.04581 (17)0.22261 (18)0.97251 (17)0.0318 (4)
H8A0.08640.14380.94120.038*
H8B0.00780.27110.89010.038*
N10.39663 (15)0.45371 (17)0.77558 (16)0.0360 (4)
N20.23508 (15)0.35954 (16)0.95851 (16)0.0344 (3)
Na10.16606 (6)0.52184 (7)0.75924 (6)0.0299 (2)
O10.02427 (12)0.09104 (13)1.18190 (12)0.0346 (3)
O20.13476 (14)0.29554 (14)1.11748 (14)0.0387 (3)
O30.17606 (12)0.10502 (13)0.96751 (12)0.0338 (3)
S10.08189 (3)0.17499 (4)1.06755 (4)0.02468 (17)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0363 (10)0.0502 (11)0.0424 (10)0.0033 (9)0.0099 (8)0.0067 (8)
C20.0323 (10)0.0600 (13)0.0488 (10)0.0016 (9)0.0159 (8)0.0023 (9)
C30.0232 (9)0.0580 (13)0.0612 (12)0.0069 (9)0.0078 (8)0.0053 (10)
C40.0299 (10)0.0417 (10)0.0485 (10)0.0071 (7)0.0005 (8)0.0016 (8)
C50.0228 (8)0.0329 (9)0.0404 (9)0.0023 (7)0.0036 (7)0.0016 (7)
C60.0306 (9)0.0382 (9)0.0394 (9)0.0008 (7)0.0011 (7)0.0068 (7)
C70.0313 (9)0.0477 (10)0.0372 (9)0.0110 (8)0.0070 (7)0.0008 (7)
C80.0261 (8)0.0369 (9)0.0341 (8)0.0045 (7)0.0100 (6)0.0006 (7)
N10.0267 (7)0.0423 (9)0.0397 (7)0.0048 (6)0.0071 (6)0.0034 (6)
N20.0256 (7)0.0372 (8)0.0405 (7)0.0060 (6)0.0053 (6)0.0016 (6)
Na10.0232 (4)0.0319 (4)0.0343 (4)0.0022 (3)0.0032 (3)0.0008 (2)
O10.0285 (6)0.0418 (7)0.0336 (6)0.0051 (5)0.0044 (5)0.0066 (5)
O20.0346 (7)0.0359 (7)0.0466 (7)0.0070 (6)0.0086 (5)0.0090 (5)
O30.0249 (6)0.0429 (7)0.0338 (6)0.0060 (5)0.0045 (5)0.0074 (5)
S10.0184 (2)0.0285 (3)0.0274 (2)0.00124 (13)0.00445 (16)0.00231 (13)
Geometric parameters (Å, º) top
C1—N11.336 (3)C7—H7B0.97
C1—C21.381 (3)C8—S11.7751 (17)
C1—H10.93C8—H8A0.97
C2—C31.373 (3)C8—H8B0.97
C2—H20.93N1—Na12.4568 (16)
C3—C41.383 (3)N2—Na12.5555 (17)
C3—H30.93Na1—O2i2.2498 (15)
C4—C51.388 (2)Na1—O1ii2.3010 (14)
C4—H40.93Na1—O3iii2.3634 (13)
C5—N11.347 (2)O1—S11.4528 (12)
C5—C61.482 (3)O1—Na1iv2.3010 (14)
C6—N21.259 (3)O2—S11.4488 (14)
C6—H60.93O2—Na1i2.2498 (15)
C7—N21.460 (2)O3—S11.4530 (12)
C7—C81.523 (2)O3—Na1v2.3634 (13)
C7—H7A0.97
N1—C1—C2123.80 (19)S1—C8—H8B108.7
N1—C1—H1118.1H8A—C8—H8B107.6
C2—C1—H1118.1C1—N1—C5116.95 (16)
C3—C2—C1118.68 (19)C1—N1—Na1124.64 (13)
C3—C2—H2120.7C5—N1—Na1118.25 (11)
C1—C2—H2120.7C6—N2—C7118.11 (16)
C2—C3—C4118.98 (18)C6—N2—Na1115.47 (13)
C2—C3—H3120.5C7—N2—Na1126.31 (12)
C4—C3—H3120.5O2i—Na1—O1ii113.68 (6)
C3—C4—C5118.71 (19)O2i—Na1—O3iii103.03 (6)
C3—C4—H4120.6O1ii—Na1—O3iii91.39 (5)
C5—C4—H4120.6O2i—Na1—N1114.06 (6)
N1—C5—C4122.87 (17)O1ii—Na1—N1130.69 (6)
N1—C5—C6117.17 (15)O3iii—Na1—N189.45 (5)
C4—C5—C6119.96 (17)O2i—Na1—N2100.18 (6)
N2—C6—C5121.87 (16)O1ii—Na1—N293.26 (5)
N2—C6—H6119.1O3iii—Na1—N2152.13 (6)
C5—C6—H6119.1N1—Na1—N266.92 (5)
N2—C7—C8107.97 (14)S1—O1—Na1iv140.83 (8)
N2—C7—H7A110.1S1—O2—Na1i163.73 (9)
C8—C7—H7A110.1S1—O3—Na1v132.67 (8)
N2—C7—H7B110.1O2—S1—O1111.93 (8)
C8—C7—H7B110.1O2—S1—O3112.75 (8)
H7A—C7—H7B108.4O1—S1—O3112.41 (8)
C7—C8—S1114.07 (12)O2—S1—C8106.50 (9)
C7—C8—H8A108.7O1—S1—C8107.48 (8)
S1—C8—H8A108.7O3—S1—C8105.21 (8)
C7—C8—H8B108.7
Symmetry codes: (i) x, y+1, z+2; (ii) x, y+1/2, z1/2; (iii) x, y+1/2, z+3/2; (iv) x, y+1/2, z+1/2; (v) x, y1/2, z+3/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C8—H8B···O1ii0.972.433.376 (2)164
Symmetry code: (ii) x, y+1/2, z1/2.
 

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