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The title compound, [Zn(SO4)(C12H10N2)]n, features a layered structure based on [Zn(SO4)]n spirals linked by 1,2-di-4-pyridylethyl­ene (bpe) ligands, with the tetra­hedral Zn and S atoms lying on twofold axes. The bpe ligands are centrosymmetric. The layers are linked by weak C—H...O inter­actions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270107007123/ga3040sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270107007123/ga3040Isup2.hkl
Contains datablock I

CCDC reference: 645505

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SMART and SAINT (Siemens, 1994); data reduction: XPREP in SHELXTL (Siemens, 1994); program(s) used to solve structure: SHELXTL; program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Poly[µ2-trans-1,2-di-4-pyridylethylene-κ2N:N'-µ2-sulfato- κ2O:O'-zinc(II)] top
Crystal data top
[Zn(SO4)(C12H10N2)]F(000) = 696
Mr = 343.68Dx = 1.837 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 245 reflections
a = 4.9322 (2) Åθ = 2.5–28.4°
b = 15.3739 (5) ŵ = 2.16 mm1
c = 16.4044 (5) ÅT = 273 K
β = 92.388 (2)°Prism, colourless
V = 1242.82 (7) Å30.24 × 0.14 × 0.10 mm
Z = 4
Data collection top
Bruker SMART CCD area-detector
diffractometer
1553 independent reflections
Radiation source: fine-focus sealed tube1106 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.058
φ and ω scansθmax = 28.4°, θmin = 2.5°
Absorption correction: empirical (using intensity measurements)
(SADABS; Sheldrick, 1996)
h = 66
Tmin = 0.600, Tmax = 0.800k = 2019
5508 measured reflectionsl = 2021
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)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.077H-atom parameters constrained
S = 0.91 w = 1/[σ2(Fo2) + (0.0356P)2]
where P = (Fo2 + 2Fc2)/3
1553 reflections(Δ/σ)max < 0.001
92 parametersΔρmax = 0.47 e Å3
0 restraintsΔρmin = 0.36 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
Zn10.00000.47584 (3)0.25000.02768 (16)
S10.50000.58719 (6)0.25000.0293 (2)
O10.3344 (5)0.63734 (17)0.19397 (15)0.0830 (9)
O20.3223 (4)0.53005 (12)0.29867 (11)0.0370 (5)
N10.1408 (4)0.40110 (14)0.15856 (13)0.0280 (5)
C10.1826 (6)0.43609 (19)0.08519 (16)0.0342 (7)
H1A0.09920.48870.07180.041*
C20.3436 (5)0.39752 (18)0.02895 (16)0.0325 (7)
H2A0.36390.42340.02170.039*
C30.4758 (5)0.31988 (18)0.04780 (15)0.0288 (6)
C40.4204 (5)0.28182 (18)0.12255 (17)0.0340 (7)
H4A0.49640.22830.13670.041*
C50.2554 (5)0.32294 (18)0.17474 (17)0.0323 (6)
H5A0.21990.29590.22390.039*
C60.6660 (5)0.28255 (17)0.00892 (16)0.0315 (6)
H6A0.66900.30620.06100.038*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.0252 (2)0.0308 (3)0.0279 (3)0.0000.01017 (17)0.000
S10.0284 (5)0.0279 (5)0.0321 (6)0.0000.0092 (4)0.000
O10.0824 (19)0.100 (2)0.0697 (17)0.0595 (17)0.0373 (14)0.0470 (16)
O20.0330 (10)0.0452 (12)0.0333 (11)0.0119 (9)0.0083 (9)0.0037 (10)
N10.0268 (11)0.0305 (13)0.0272 (12)0.0025 (10)0.0073 (9)0.0023 (10)
C10.0408 (16)0.0297 (16)0.0326 (16)0.0069 (13)0.0065 (13)0.0034 (14)
C20.0411 (16)0.0333 (16)0.0237 (15)0.0059 (13)0.0098 (12)0.0023 (13)
C30.0279 (13)0.0321 (15)0.0269 (14)0.0013 (12)0.0070 (11)0.0040 (13)
C40.0361 (14)0.0326 (16)0.0342 (15)0.0104 (13)0.0122 (12)0.0035 (14)
C50.0351 (15)0.0341 (16)0.0283 (15)0.0041 (13)0.0089 (12)0.0043 (13)
C60.0320 (14)0.0370 (17)0.0263 (13)0.0016 (12)0.0098 (11)0.0015 (13)
Geometric parameters (Å, º) top
Zn1—O21.9374 (18)C1—H1A0.9300
Zn1—O2i1.9374 (18)C2—C31.389 (4)
Zn1—N12.035 (2)C2—H2A0.9300
Zn1—N1i2.035 (2)C3—C41.396 (4)
S1—O1ii1.430 (2)C3—C61.466 (3)
S1—O11.430 (2)C4—C51.361 (4)
S1—O21.4952 (18)C4—H4A0.9300
S1—O2ii1.4952 (18)C5—H5A0.9300
N1—C11.342 (3)C6—C6iii1.324 (5)
N1—C51.349 (3)C6—H6A0.9300
C1—C21.376 (4)
O2—Zn1—O2i129.04 (12)N1—C1—H1A118.6
O2—Zn1—N1104.32 (8)C2—C1—H1A118.6
O2i—Zn1—N1103.81 (8)C1—C2—C3120.0 (3)
O2—Zn1—N1i103.81 (8)C1—C2—H2A120.0
O2i—Zn1—N1i104.32 (8)C3—C2—H2A120.0
N1—Zn1—N1i111.23 (12)C2—C3—C4116.7 (2)
O1ii—S1—O1114.7 (3)C2—C3—C6120.2 (2)
O1ii—S1—O2107.78 (12)C4—C3—C6123.2 (2)
O1—S1—O2109.17 (13)C5—C4—C3120.1 (3)
O1ii—S1—O2ii109.17 (13)C5—C4—H4A119.9
O1—S1—O2ii107.78 (12)C3—C4—H4A119.9
O2—S1—O2ii108.04 (16)N1—C5—C4123.1 (3)
S1—O2—Zn1121.46 (11)N1—C5—H5A118.4
C1—N1—C5117.0 (2)C4—C5—H5A118.4
C1—N1—Zn1120.32 (18)C6iii—C6—C3124.5 (3)
C5—N1—Zn1120.72 (18)C6iii—C6—H6A117.7
N1—C1—C2122.9 (3)C3—C6—H6A117.7
Symmetry codes: (i) x, y, z+1/2; (ii) x+1, y, z+1/2; (iii) x+3/2, y+1/2, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C6—H6A···O1iv0.932.353.276 (4)178
C4—H4A···O1v0.932.343.206 (4)154
Symmetry codes: (iv) x+1, y+1, z; (v) x+1/2, y1/2, z.
 

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