Home Crystal structure of catena-poly[diaqua-bis(μ2-4,4′-bipyridyl-κ2N:N′) disilver(I)] 4-oxidopyridine-3-sulfonate trihydrate, C25H29Ag2N5O9S
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Crystal structure of catena-poly[diaqua-bis(μ2-4,4′-bipyridyl-κ2N:N′) disilver(I)] 4-oxidopyridine-3-sulfonate trihydrate, C25H29Ag2N5O9S

  • Han-Lin Zhao , Jin-Ke Jiang , Hui Jiang ORCID logo , Xian-Wu Dong ORCID logo and Xue Li ORCID logo EMAIL logo
Published/Copyright: July 7, 2021

Abstract

C25H29Ag2N5O9S, monoclinic, P21/m (no. 11), a = 8.5437(16) Å, b = 17.852(4) Å, c = 9.3335(13) Å, β = 101.380(16)°, V = 1395.6(5) Å3, Z = 2, R gt (F) = 0.0271, wR ref (F2) = 0.0653, T = 293(2) K.

CCDC no.: 2082795

The molecular structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal: Colorless block
Size: 0.14 × 0.11 × 0.07 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 1.54 mm−1
Diffractometer, scan mode: XtaLAB Pro, ω
θmax, completeness: 25.0°, 99%
N(hkl)measuredN(hkl)uniqueRint: 8980, 2524, 0.022
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 2260
N(param)refined: 235
Programs: CrysAlisPRO [1], SHELX [2], [3], WinGX/ORTEP [4]
Table 2:

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).

Atom x y z Uiso*/Ueq
C1 −0.1153 (4) 0.44867 (18) −0.3552 (3) 0.0504 (8)
H1 −0.165162 0.403996 −0.389298 0.061*
C2 0.0077 (4) 0.44610 (16) −0.2370 (3) 0.0488 (8)
H2 0.039168 0.400314 −0.193059 0.059*
C3 0.0859 (3) 0.51092 (14) −0.1819 (3) 0.0292 (5)
C4 0.0347 (4) 0.57633 (16) −0.2565 (3) 0.0441 (7)
H4 0.084441 0.621541 −0.226066 0.053*
C5 −0.0892 (4) 0.57467 (17) −0.3751 (3) 0.0461 (8)
H5 −0.120368 0.619329 −0.423771 0.055*
C6 0.3762 (4) 0.44860 (17) 0.1533 (3) 0.0501 (8)
H6 0.405918 0.404021 0.202779 0.060*
C7 0.2608 (4) 0.44609 (16) 0.0284 (3) 0.0494 (8)
H7 0.214718 0.400504 −0.004748 0.059*
C8 0.2127 (3) 0.51087 (14) −0.0483 (3) 0.0280 (5)
C9 0.2878 (4) 0.57545 (17) 0.0082 (4) 0.0560 (10)
H9 0.260878 0.620843 −0.039117 0.067*
C10 0.4025 (4) 0.57356 (18) 0.1342 (4) 0.0541 (9)
H10 0.450735 0.618338 0.169692 0.065*
C11 0.1113 (5) 0.250000 0.8923 (5) 0.0345 (9)
C12 0.2578 (4) 0.250000 0.8503 (4) 0.0270 (7)
C13 0.4015 (4) 0.250000 0.9585 (4) 0.0271 (8)
C14 0.3766 (5) 0.250000 1.1047 (4) 0.0344 (8)
H14 0.464115 0.250000 1.181843 0.041*
C15 0.2273 (5) 0.250000 1.1331 (5) 0.0417 (10)
H15 0.217585 0.250000 1.230628 0.050*
Ag1 0.63265 (3) 0.51108 (2) 0.39791 (2) 0.04697 (11)
N1 −0.1674 (3) 0.51182 (13) −0.4241 (2) 0.0351 (5)
N2 0.4476 (3) 0.51144 (13) 0.2073 (2) 0.0335 (5)
N3 0.0925 (4) 0.250000 1.0315 (4) 0.0417 (8)
O1 0.3464 (3) 0.31775 (12) 0.6346 (2) 0.0482 (5)
O2 0.0984 (4) 0.250000 0.5851 (3) 0.0571 (9)
O1Wa −0.2622 (6) 0.2663 (7) 0.7345 (6) 0.069 (4)
O2W 0.5527 (3) 0.35965 (13) 0.4459 (3) 0.0574 (6)
H2WA 0.496332 0.338942 0.500089 0.086*
H2WB 0.626564 0.328587 0.441817 0.086*
O3W 0.8106 (4) 0.250000 1.1360 (3) 0.0371 (6)
O4W 0.7897 (4) 0.250000 1.4180 (4) 0.0561 (9)
O6 0.5412 (3) 0.250000 0.9290 (3) 0.0368 (6)
S1 0.26302 (11) 0.250000 0.66201 (10) 0.0319 (2)
H1WA −0.338 (9) 0.250000 0.762 (8) 0.09 (3)*
H1WB −0.286 (13) 0.250000 0.648 (3) 0.18 (5)*
H3WA 0.727 (3) 0.250000 1.071 (3) 0.030 (11)*
H3WB 0.894 (5) 0.250000 1.103 (6) 0.09 (2)*
H4WA 0.875 (5) 0.250000 1.480 (6) 0.10 (2)*
H4WB 0.805 (6) 0.250000 1.331 (3) 0.062 (16)*
H11 0.017 (5) 0.250000 0.824 (5) 0.036 (11)*
  1. aOccupancy: 0.5.

Source of material

A mixture of Ag2CO3 (0.138 g, 0.5 mmol) and 4-hydroxypyridine-3-sulfonic acid (0.088 g, 0.5 mmol) in 15 mL EtOH/H2O (2:1, v/v) was reacted for 15 min. An aqueous solution of ammonia was added to make the solution clear. A methyl alcohol solution of 4,4′-bipyridine (0.078 g, 0.5 mmol) was added to the system at the same time. The solution was kept in a dark room and crystals were obtained.

Experimental details

The detailed information of the single crystal were collected by CrysAlisPRO 1.171.39.7e [1], were solved by SHELXT [2] program with WinGX [4], refined by SHELXL [3].

Comment

As is depicted in the Figure, the Ag cation is three-coordinated by two nitrogen atoms coming from two 4,4′-bipyridine ligands and one oxygen atom of a water molecule. The bond lengths and angles are similar to those observed in other coordination polymers [5], [6], [7], [8]. The 4-hydroxypyridine-3-sulfonic acid is the counter ion in this structure. The distance of Ag⋯Ag is 3.260 Å. Lastly, the title compound forms a three-dimensional structure due to the existence of free water molecules. It should be mentioned that the structure of the ylidic educt has been reported [9].


Corresponding author: Xue Li, College of Biology and Pharmaceutical Engineering, Jilin Agricultural Science and Technology University, Jilin, 132101, Province Jilin, P. R. China, E-mail:

Han-Lin Zhao and Jin-Ke Jiang contributed equally to this work.


Funding source: Jilin Agricultural Science and Technology University 10.13039/501100012146

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: This work was supported by Key Construction Disciplines of Biology, Jilin Agricultural Science and Technology University.

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

References

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Received: 2021-05-09
Accepted: 2021-06-14
Published Online: 2021-07-07
Published in Print: 2021-09-27

© 2021 Han-Lin Zhao et al., published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution 4.0 International License.

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