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catena-Poly[[silver(I)-[μ-4-(2-pyrid­yl)­pyrimidine-2-sulfonato]] monohydrate]

aSchool of Chemistry and Chemical Engineering, Southeast University, Nanjing, People's Republic of China
*Correspondence e-mail: zhuhaibin@seu.edu.cn

(Received 22 March 2010; accepted 4 April 2010; online 10 April 2010)

In the title compound, {[Ag(C9H6N3O3S)]·H2O}n, the AgI atom is coordinated by three N atoms and two sulfonate O atoms from two different 4-(2-pyrid­yl)pyrimidine-2-sulfonate ligands. The ligand bridges two AgI atoms, forming a polymeric zigzag chain propagating parallel to [001]. The uncoordinated water mol­ecule is involved in hydrogen bonds with sulfonate O atoms.

Related literature

For our previous work with the 4-(2-pyrid­yl)pyrimidine-2-sulfonate ligand, see: Zhu et al. (2007[Zhu, H.-B., Dong, H.-Z., Huang, W. & Gou, S.-H. (2007). J. Mol. Struct. 831, 55-60.]).

[Scheme 1]

Experimental

Crystal data
  • [Ag(C9H6N3O3S)]·H2O

  • Mr = 362.12

  • Monoclinic, P 21 /c

  • a = 6.9020 (3) Å

  • b = 13.6228 (6) Å

  • c = 12.1337 (5) Å

  • β = 99.975 (2)°

  • V = 1123.62 (8) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 1.99 mm−1

  • T = 298 K

  • 0.18 × 0.15 × 0.12 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.706, Tmax = 0.788

  • 6630 measured reflections

  • 2533 independent reflections

  • 2160 reflections with I > 2σ(I)

  • Rint = 0.015

Refinement
  • R[F2 > 2σ(F2)] = 0.024

  • wR(F2) = 0.071

  • S = 1.02

  • 2533 reflections

  • 163 parameters

  • H-atom parameters constrained

  • Δρmax = 0.51 e Å−3

  • Δρmin = −0.53 e Å−3

Table 1
Selected bond lengths (Å)

Ag1—N1i 2.279 (2)
Ag1—N2 2.393 (2)
Ag1—N3 2.337 (2)
Ag1—O1i 2.668 (2)
Ag1—O3 2.693 (2)
Symmetry code: (i) [x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}].

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
O4—H2⋯O3 0.85 1.95 2.793 (4) 173
O4—H1⋯O2ii 0.85 2.07 2.913 (4) 173
Symmetry code: (ii) -x+2, -y+1, -z.

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2007[Bruker (2007). APEX2 and SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supporting information


Comment top

In our previous work, we have reported several divalent transition metal coordination compounds with 4-(2-pyridyl)pyrimidine-2-sulfonate (L) ligand (Zhu et al., 2007). Herein, we present a new silver(I) coordination polymer with L.

The title compound has a polymeric zigzag chain structure, where the AgI atom is penta-coordinated by three N atoms and two sulfonate O atoms from two L ligands (Fig. 1). The Ag—N bond lengths vary between 2.279 (2) and 2.393 (2) Å, and the Ag—O distances are in the range of 2.668 (2) and 2.693 (2)Å (Table 1). The uncoordinated water molecule is involved in hydrogen bonds with sulfonate O atoms (Table 2).

Related literature top

For our previous work with the 4-(2-pyridyl)pyrimidine-2-sulfonate ligand, see: Zhu et al. (2007).

Experimental top

A colorless solution of AgNO3 (0.017 g, 0.1 mmol) in CH3CN (5 ml) was carefully layered onto a solution of 4-(2-pyridyl)pyrimidine-2-sulfonic acid (0.026 g, 1 mmol) in H2O (5 ml). Diffusion between the two phases over a period of 5 d produced light-yellow crystals (yield: 0.026 g, 72% based on silver nitrate).

Refinement top

H atoms bounded to C atoms were positioned geometrically and allowed to ride on their parent atoms, with C—H =0.93 Å and with Uiso(H) = 1.2Ueq(C). The positions of the water H atoms were found from a difference Fourier map and refined as riding with O—H = 0.85 Å and Uiso(H) = 1.2Ueq(O).

Structure description top

In our previous work, we have reported several divalent transition metal coordination compounds with 4-(2-pyridyl)pyrimidine-2-sulfonate (L) ligand (Zhu et al., 2007). Herein, we present a new silver(I) coordination polymer with L.

The title compound has a polymeric zigzag chain structure, where the AgI atom is penta-coordinated by three N atoms and two sulfonate O atoms from two L ligands (Fig. 1). The Ag—N bond lengths vary between 2.279 (2) and 2.393 (2) Å, and the Ag—O distances are in the range of 2.668 (2) and 2.693 (2)Å (Table 1). The uncoordinated water molecule is involved in hydrogen bonds with sulfonate O atoms (Table 2).

For our previous work with the 4-(2-pyridyl)pyrimidine-2-sulfonate ligand, see: Zhu et al. (2007).

Computing details top

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT-Plus (Bruker, 2007); data reduction: SAINT-Plus (Bruker, 2007); 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 (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The coordination environment around AgI in the title complex. Displacement ellipsoids are drawn at the 30% probability level. The Ag···O bonds are shown as dashed lines. [Symmetry code: (i) x, 1/2-y, 1/2+z.]
catena-Poly[[silver(I)-[µ-4-(2-pyridyl)pyrimidine-2-sulfonato]] monohydrate] top
Crystal data top
[Ag(C9H6N3O3S)]·H2OF(000) = 712
Mr = 362.12Dx = 2.147 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 2533 reflections
a = 6.9020 (3) Åθ = 2.3–27.5°
b = 13.6228 (6) ŵ = 1.99 mm1
c = 12.1337 (5) ÅT = 298 K
β = 99.975 (2)°Block, colorless
V = 1123.62 (8) Å30.18 × 0.15 × 0.12 mm
Z = 4
Data collection top
Bruker APEXII CCD
diffractometer
2533 independent reflections
Radiation source: fine-focus sealed tube2160 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.015
φ and ω scansθmax = 27.5°, θmin = 2.3°
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
h = 88
Tmin = 0.706, Tmax = 0.788k = 1715
6630 measured reflectionsl = 1513
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)] = 0.024Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.071H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0401P)2 + 0.5886P]
where P = (Fo2 + 2Fc2)/3
2533 reflections(Δ/σ)max < 0.001
163 parametersΔρmax = 0.51 e Å3
0 restraintsΔρmin = 0.53 e Å3
Crystal data top
[Ag(C9H6N3O3S)]·H2OV = 1123.62 (8) Å3
Mr = 362.12Z = 4
Monoclinic, P21/cMo Kα radiation
a = 6.9020 (3) ŵ = 1.99 mm1
b = 13.6228 (6) ÅT = 298 K
c = 12.1337 (5) Å0.18 × 0.15 × 0.12 mm
β = 99.975 (2)°
Data collection top
Bruker APEXII CCD
diffractometer
2533 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
2160 reflections with I > 2σ(I)
Tmin = 0.706, Tmax = 0.788Rint = 0.015
6630 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0240 restraints
wR(F2) = 0.071H-atom parameters constrained
S = 1.02Δρmax = 0.51 e Å3
2533 reflectionsΔρmin = 0.53 e Å3
163 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ag10.81252 (4)0.174975 (15)0.078449 (17)0.04992 (10)
N20.7873 (3)0.14417 (14)0.11767 (17)0.0335 (4)
N30.7593 (3)0.00808 (15)0.04023 (18)0.0389 (4)
C30.7075 (4)0.03190 (19)0.2672 (2)0.0420 (6)
H3A0.67530.03110.29360.050*
C40.7418 (3)0.05178 (16)0.1536 (2)0.0333 (5)
C60.6871 (4)0.1210 (2)0.0934 (3)0.0480 (6)
H6A0.66830.14160.16750.058*
C90.7459 (4)0.0571 (2)0.1213 (3)0.0477 (6)
H9A0.76620.03550.19500.057*
C80.7034 (4)0.1546 (2)0.1002 (3)0.0527 (7)
H8A0.69520.19770.15860.063*
C70.6733 (4)0.1873 (2)0.0083 (3)0.0544 (8)
H7A0.64400.25290.02460.065*
C50.7293 (3)0.02331 (18)0.0662 (2)0.0359 (5)
S10.85817 (10)0.33521 (4)0.14563 (5)0.04032 (15)
N10.7693 (3)0.19927 (16)0.30431 (18)0.0410 (5)
C10.7996 (3)0.21175 (17)0.1937 (2)0.0338 (5)
O20.6717 (4)0.38366 (17)0.1628 (2)0.0786 (8)
C20.7221 (4)0.1074 (2)0.3396 (2)0.0463 (6)
H2B0.69860.09470.41600.056*
O10.9932 (4)0.36957 (18)0.21511 (19)0.0694 (7)
O30.9460 (3)0.32665 (13)0.02960 (17)0.0521 (5)
O41.2896 (6)0.4143 (3)0.0834 (5)0.189 (3)
H21.17970.39200.05040.226*
H11.31160.47220.10860.226*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.07851 (18)0.03703 (13)0.03468 (13)0.00054 (9)0.01113 (10)0.00254 (7)
N20.0349 (10)0.0297 (9)0.0368 (11)0.0010 (8)0.0082 (8)0.0028 (8)
N30.0411 (11)0.0335 (10)0.0430 (11)0.0032 (9)0.0096 (9)0.0039 (9)
C30.0486 (14)0.0329 (12)0.0455 (14)0.0056 (11)0.0107 (11)0.0092 (10)
C40.0272 (11)0.0300 (11)0.0432 (13)0.0012 (8)0.0076 (9)0.0016 (9)
C60.0498 (15)0.0319 (13)0.0616 (18)0.0013 (11)0.0077 (13)0.0046 (11)
C90.0497 (15)0.0428 (14)0.0526 (16)0.0047 (12)0.0144 (12)0.0088 (12)
C80.0436 (15)0.0419 (14)0.074 (2)0.0054 (11)0.0144 (14)0.0200 (14)
C70.0494 (16)0.0296 (13)0.083 (2)0.0000 (11)0.0094 (15)0.0069 (13)
C50.0283 (11)0.0305 (11)0.0496 (14)0.0021 (9)0.0091 (10)0.0000 (10)
S10.0537 (4)0.0295 (3)0.0366 (3)0.0036 (3)0.0045 (3)0.0018 (2)
N10.0530 (13)0.0370 (10)0.0342 (11)0.0035 (9)0.0110 (9)0.0035 (8)
C10.0352 (11)0.0318 (11)0.0354 (12)0.0005 (9)0.0089 (9)0.0030 (9)
O20.0733 (15)0.0478 (13)0.105 (2)0.0202 (11)0.0121 (14)0.0218 (13)
C20.0590 (16)0.0432 (14)0.0368 (13)0.0060 (12)0.0087 (11)0.0094 (11)
O10.0992 (17)0.0608 (14)0.0516 (12)0.0412 (13)0.0224 (12)0.0040 (10)
O30.0732 (13)0.0410 (11)0.0394 (11)0.0113 (9)0.0021 (9)0.0044 (8)
O40.113 (3)0.114 (3)0.304 (7)0.030 (2)0.063 (4)0.126 (4)
Geometric parameters (Å, º) top
Ag1—N1i2.279 (2)C9—C81.374 (4)
Ag1—N22.393 (2)C9—H9A0.9300
Ag1—N32.337 (2)C8—C71.370 (5)
Ag1—O1i2.668 (2)C8—H8A0.9300
Ag1—O32.693 (2)C7—H7A0.9300
N2—C11.317 (3)S1—O21.429 (2)
N2—C41.351 (3)S1—O31.438 (2)
N3—C91.340 (3)S1—O11.439 (2)
N3—C51.342 (3)S1—C11.803 (2)
C3—C21.368 (4)N1—C11.333 (3)
C3—C41.384 (3)N1—C21.344 (3)
C3—H3A0.9300N1—Ag1ii2.279 (2)
C4—C51.487 (3)C2—H2B0.9300
C6—C71.388 (4)O4—H20.8500
C6—C51.389 (4)O4—H10.8500
C6—H6A0.9300
N1i—Ag1—N3145.30 (7)C8—C9—H9A118.5
N1i—Ag1—N2139.26 (7)C7—C8—C9119.0 (3)
N3—Ag1—N269.52 (7)C7—C8—H8A120.5
O1i—Ag1—N2146.68 (7)C9—C8—H8A120.5
O1i—Ag1—N389.82 (7)C8—C7—C6119.0 (3)
O1i—Ag1—N1i71.05 (8)C8—C7—H7A120.5
O3—Ag1—N1i79.63 (7)C6—C7—H7A120.5
O3—Ag1—N267.83 (7)N3—C5—C6121.6 (2)
O3—Ag1—N3134.83 (6)N3—C5—C4116.7 (2)
C1—N2—C4117.7 (2)C6—C5—C4121.7 (2)
C1—N2—Ag1124.89 (16)O2—S1—O3113.36 (16)
C4—N2—Ag1117.21 (15)O2—S1—O1115.00 (18)
C9—N3—C5118.4 (2)O3—S1—O1113.20 (14)
C9—N3—Ag1121.87 (19)O2—S1—C1103.76 (13)
C5—N3—Ag1119.59 (16)O3—S1—C1105.92 (11)
C2—C3—C4118.3 (2)O1—S1—C1104.21 (12)
C2—C3—H3A120.9C1—N1—C2115.2 (2)
C4—C3—H3A120.9C1—N1—Ag1ii121.18 (17)
N2—C4—C3119.6 (2)C2—N1—Ag1ii123.49 (17)
N2—C4—C5116.7 (2)N2—C1—N1126.8 (2)
C3—C4—C5123.7 (2)N2—C1—S1117.60 (18)
C7—C6—C5119.0 (3)N1—C1—S1115.62 (18)
C7—C6—H6A120.5N1—C2—C3122.4 (2)
C5—C6—H6A120.5N1—C2—H2B118.8
N3—C9—C8122.9 (3)C3—C2—H2B118.8
N3—C9—H9A118.5H2—O4—H1126.2
Symmetry codes: (i) x, y+1/2, z+1/2; (ii) x, y+1/2, z1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O4—H2···O30.851.952.793 (4)173
O4—H1···O2iii0.852.072.913 (4)173
Symmetry code: (iii) x+2, y+1, z.

Experimental details

Crystal data
Chemical formula[Ag(C9H6N3O3S)]·H2O
Mr362.12
Crystal system, space groupMonoclinic, P21/c
Temperature (K)298
a, b, c (Å)6.9020 (3), 13.6228 (6), 12.1337 (5)
β (°) 99.975 (2)
V3)1123.62 (8)
Z4
Radiation typeMo Kα
µ (mm1)1.99
Crystal size (mm)0.18 × 0.15 × 0.12
Data collection
DiffractometerBruker APEXII CCD
Absorption correctionMulti-scan
(SADABS; Bruker, 2001)
Tmin, Tmax0.706, 0.788
No. of measured, independent and
observed [I > 2σ(I)] reflections
6630, 2533, 2160
Rint0.015
(sin θ/λ)max1)0.651
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.024, 0.071, 1.02
No. of reflections2533
No. of parameters163
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.51, 0.53

Computer programs: APEX2 (Bruker, 2007), SAINT-Plus (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top
Ag1—N1i2.279 (2)Ag1—O1i2.668 (2)
Ag1—N22.393 (2)Ag1—O32.693 (2)
Ag1—N32.337 (2)
Symmetry code: (i) x, y+1/2, z+1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O4—H2···O30.851.952.793 (4)173
O4—H1···O2ii0.852.072.913 (4)173
Symmetry code: (ii) x+2, y+1, z.
 

Acknowledgements

The author acknowledges financial support from the Young Teachers' Starting Fund of Southeast University.

References

First citationBruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.  Google Scholar
First citationBruker (2007). APEX2 and SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.  Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationZhu, H.-B., Dong, H.-Z., Huang, W. & Gou, S.-H. (2007). J. Mol. Struct. 831, 55–60.  Web of Science CSD CrossRef CAS Google Scholar

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