Home Physical Sciences Crystal structure of poly[1,2-bis(1,2,4-triazol-4-yl)ethane-κ2N:N′]silver(I) bromate monohydrate]silver(I), C6H10AgBrN6O4
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Crystal structure of poly[1,2-bis(1,2,4-triazol-4-yl)ethane-κ2N:N′]silver(I) bromate monohydrate]silver(I), C6H10AgBrN6O4

  • Yanfeng Cui EMAIL logo , Xiangfei Zhang , Yaping Dong and Wu Li
Published/Copyright: May 26, 2017

Abstract

C6H10AgBrN6O4, monoclinic, P21/c (no. 14), a = 11.424(7) Å, b = 16.140(9) Å, c = 6.506(4) Å, β = 97.897(4)°, V =1188.73(12) Å3, Z = 4, Rgt(F) = 0.0473, wRref(F2) = 0.1177, T = 273(2) K.

CCDC no.:: 729820

Table 1

Data collection and handling.

Crystal:Colourless block
Size:0.70 × 0.30 × 0.15 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:50.8 cm−1
Diffractometer, scan mode:Rigaku Mercury, ω-scans
2θmax, completeness:50.6°, >99%
N(hkl)measured, N(hkl)unique, Rint:11275, 2166, 0.048
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 1824
N(param)refined:169
Programs:CrystalClear [1], SHELX [2]

A part of the crystal structure is shown against the c-direction in the Figure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.

Table 2

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

AtomxyzUiso*/Ueq
Ag10.26545(5)0.31937(3)0.24161(7)0.0426(2)
Br1−0.16651(6)0.31749(4)0.00977(10)0.0435(2)
O1−0.2805(5)0.2904(4)0.1207(9)0.0716(16)
O2−0.0695(5)0.3542(4)0.1952(9)0.0750(16)
O3−0.2089(5)0.3970(3)−0.1353(8)0.0687(15)
O4−0.3482(6)0.3879(3)0.4486(10)0.0816(19)
C10.0717(6)0.3410(4)−0.3560(9)0.0403(15)
H1A0.03660.3161−0.47800.048*
C20.1284(6)0.4315(4)−0.1237(9)0.0458(17)
H2A0.13970.4816−0.05320.055*
C3−0.0332(7)0.4839(5)−0.4244(13)0.067(2)
H3A−0.10400.4558−0.48810.081*
H3B−0.05450.5269−0.33230.081*
C40.4744(6)0.3356(4)0.8287(10)0.0402(15)
H4A0.51910.30990.94110.048*
C50.3959(6)0.4294(3)0.6180(9)0.0375(14)
H5A0.37490.48030.55650.045*
C60.5339(6)0.4852(4)0.9194(10)0.0442(16)
H6A0.54810.53100.82940.053*
H6B0.60990.46450.98400.053*
N10.1763(4)0.3624(3)−0.0599(7)0.0332(11)
N20.1397(5)0.3031(3)−0.2081(7)0.0363(12)
N30.0595(6)0.4210(3)−0.3073(9)0.0569(17)
N40.3568(5)0.3574(3)0.5453(7)0.0370(12)
N50.4070(5)0.2969(3)0.6827(7)0.0396(12)
N60.4709(4)0.4190(3)0.7951(7)0.0360(11)
H1W−0.324(6)0.350(3)0.363(6)0.043*
H2W−0.338(6)0.362(3)0.569(4)0.043*

Source of material

A 5 mL aqueous solution of AgNO3 (0.2 mmol) and KBrO3 (0.2 mmol) was added to a tube. Then 5 mL 1:1 CH3CN/H2O solution (v/v) was slowly added. Finally a 5 mL CH3OH solution of 1,2-bis(1,2,4-triazol-4-yl)ethane (btre) (0.1 mmol) was slowly added. Colorless crystals of the title compound (yield: 32% based on btre) were obtained after 1 weeks in a dark room at room temperature.

Experimental details

Carbon-bound hydrogen atoms were placed in calculated positions and were included in the refinement in the riding model approximation, with Uiso(H) set to 1.2Ueq(C).

Atomic coordinates of the hydrogen atoms of the water molecule were refined freely.

Discussion

The design of metal–organic coordination polymers are of current interest in the fields of supramolecular chemistry and crystal engineering not only because of their potential applications as functional materials but also due to their intriguing variety of topologies [3]. A successful strategy for construction of such networks is to employ appropriate ligands that can bond metal ions in different modes and provide a way to obtain new materials with intriguing architectures and excellent physical properties [4], [5], [6], [7]. Many factors such as the coordination geometry of the central atom, the structural characteristics of the ligands, the solvent system, and the counterions can play key roles in the construction of the coordination networks. The anions serve more than merely balancing the charges of a cationic complex and influence the structure of a supramolecular system through coordination to the metal. Silver coordination polymers have been widely studied not only for their applications as fluorescent materials, but also for their fascinating structures derived from variable coordination numbers from 2 to 6 of silver and different conformations around silver metal centers. Only a limited number of silver coordination polymers with the flexible 1-substituted 1,2,4-triazole ligands bis(1,2,4-triazol-1-yl)methane (btm) and 1,2-bis(1,2,4-triazol-1-yl)ethane (bte) [8], [9], [10] were synthesized and structurally characterized. The ligand 1,2-bis(1,2,4-triazol-4-yl)ethane is a isomer of 1,2-bis(1,2,4-triazol-1-yl)ethane (bte). Liang and coworkers reported that the self-assembly reaction of flexible ligand 1,2-bis(1,2,4-triazol-4-yl)ethane (btre) with Ag salt with BF4, SO42−, NO3 and ClO4 gives novel coordination polymers with the anions playing an important role in the formation of coordination polymers [11]. On the other hand, a large number of mononuclear, oligonuclear, and polynuclear transition metal complexes of 1- and 4-substituted 1,2,4-triazole derivatives have been synthesized and characterized because of their unique properties and novel topologies. In order to continue to investigate the influence of the inorganic anions on the structures of silver coordination polymers with the flexible ligand btre, a new silver coordination polymer Ag(btre)BrO3⋅H2O was synthesized.

The asymmetric unit of the title structure consists of one Ag(I) ion, one 1,2-bis(1,2,4-triazol-4-yl)ethane, one bromate counter anion and one water molecule. Each Ag(I) atom displays a distorted tetrahedral coordination geometry, coordinated by four triazole nitrogen atoms from four symmetry-related btre ligands, and form a three-dimensional microporous structure, while BrO3 anions and water molecules occupy the voids (cf. the figure).

The Ag—N bond lengths are in the range of 2.192(4) Å to 2.540(5) Å. The N—Ag—N bond angles are in the range of 96.24(17)° to 145.29(17)°. The Br—O bond lengths are in the range of 1.627(5)–1.633(5) Å. There are weak interactions between two oxygen atoms of adjacent BrO3 anion and hydrogen atom of H2O [H(1w)–O(4) 0.90(2) Å, H(2w)–O(4) 0.88(2) Å]. Each Ag(btre)4 unit is a four-connected mode. If a Ag(btre)4 unit is considered as one node and double btre as one building block, the two-dimensional network can be viewed as a simple two-dimensional (4,4) network. The distances between the Ag(I) atoms bridged by btre are 3.9492(19) Å to 6.6050(41) Å, along the b-axis and along the a-axis. So each silver(I) chain connects four adjacent btre ligand bridges, leading to a novel three-dimensional network. Though microporous voids exist, the interpenetrating network does not occur, while BrO3 anions and water molecules occupy the voids.

Acknowledgement

This work was supported by grants from the Foundation of Qinghai institute of Salt Lakes (Y460091034).

References

1 Rigaku/MSC. CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA, (2006).Search in Google Scholar

2 Sheldrick, G. M.: A short history of SHELX. Acta Crystallogr. A64 (2008) 112–122.10.1107/S0108767307043930Search in Google Scholar

3 Hagrman, P. J.; Hagrmam, D.; Zubieta, J.: Organic-inorganic hybrid materials: from simple coordination polymers to organodiamine templated molybdenum oxides. Angew. Chem. Int. Ed. 38 (1999) 2638–2684.10.1002/(SICI)1521-3773(19990917)38:18<2638::AID-ANIE2638>3.0.CO;2-4Search in Google Scholar

4 Eddaoudi, M.; Moler, D. B.; Li, H. L.; Chen, B. L.; Reineke, T. M.; Keeffe, M. O.; Yaghi, O. M.: Reticular chemistry: occurrence and taxonomy of nets and grammar for the design of frameworks. Acc. Chem. Res. 38 (2005) 176–182.10.1021/ar020022lSearch in Google Scholar

5 Zaworotko, M. J.: Superstructural diversity in two dimensions: crystal engineering of laminated solids. Chem. Commun. (2001) 1–9.10.1039/b007127gSearch in Google Scholar

6 Kuppler, R. J.; Timmons, D. J.; Fang, Q. R.; Li, J. R.; Makal, T. A.; Young, M. D.; Yuan, D. Q.; Zhao, D.; Zhuang, W. J.; Zhou, H. C.: Potential applications of metal-organic frameworks. Coord. Chem. Rev. 253 (2009) 3042–3066.10.1016/j.ccr.2009.05.019Search in Google Scholar

7 Lucia, C.; Gianfranco, C.; Davide, M.: Proserpio Borromean links and other non-conventional links in polycatenated coordination polymers: re-examination of some puzzling networks. CrystEngComm 5 (2003) 269–279.10.1039/B305246JSearch in Google Scholar

8 Qian, X.; Sun, P. P.; Ding, J. G.; Li, B. L.; Li, H. Y.: Syntheses, structures and properties of Mn(II), Zn(II) and Ag(I) coordination polymers with 2-(1,2,4-triazol-1-yl)acetate. J. Mol. Struct. 1031 (2013) 175–179.10.1016/j.molstruc.2012.07.016Search in Google Scholar

9 Zhu, X.; Liu, X. G.; Li, B. L.; Zhang, Y.: Solvent–controlled assembly of supramolecular isomers: 2D (4,4) network, 1D ribbons of ring, and both 2D (4,4) networks and 1D ribbons of rings polycatenated in a 3D array. CrystEngComm 11 (2009) 997–1000.10.1039/b901780cSearch in Google Scholar

10 Zhu, X.; Ge, H. Y.; Zhang, Y. M.; Li, B. L.; Zhang, Y.: Self–assembly of five cobalt(II) coordination polymers from 1,2-bis(1,2,4-triazol-1-yl)ethane. Polyhedron 25 (2006) 1875–1883.10.1016/j.poly.2005.07.042Search in Google Scholar

11 Liang, N.; Cui, Y. F.; Yuan, D. Y.; Li, B. L.; Li, H. Y.: Anion-controlled four silver coordination polymers with flexible bis(1,2,4-triazol-4-yl)ethane. Inorg. Chim. Acta 376 (2011) 612–618.10.1016/j.ica.2011.07.040Search in Google Scholar

Received: 2016-11-11
Accepted: 2017-5-3
Published Online: 2017-5-26
Published in Print: 2017-7-26

©2017 Yanfeng Cui et al., published by De Gruyter, Berlin/Boston.

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

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