catena-Poly[[silver(I)-μ-1,2-bis­(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)ethane-κ2N:N′] perchlorate hemihydrate]

Yeh, C.-W.; Huang, F.-C.; Lin, S.-C.; Jong, A.; Suen, M.-C.

doi:10.1107/S1600536812016406

Volume 68
Part 5
Pages m637-m638
May 2012

Received 29 March 2012
Accepted 16 April 2012
Online 21 April 2012

Key indicators
Single-crystal X-ray study
T = 297 K
Mean (C-C) = 0.004 Å
Disorder in main residue
R = 0.029
wR = 0.090
Data-to-parameter ratio = 15.8
Details

catena-Poly[[silver(I)--1,2-bis(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)ethane-²N:N'] perchlorate hemihydrate]

Chun-Wei Yeh,^a Fu-Chang Huang,^b Shui-Chuan Lin,^c Ay Jong ^d and Maw-Cherng Suen ^e ^*

^aDepartment of Chemistry, Chung-Yuan Christian University, Jhongli 32023, Taiwan,^bDepartment of Civil and Environmental Engineering, Nanya Institute of Technology, Jhongli 32091, Taiwan,^cDepartment of Chemical and Material Engineering, Nanya Institute of Technology, Jhongli 32091, Taiwan,^dDepartment of Polymer Materials, Vanung University, Jhongli 32061, Taiwan, and ^eDepartment of Materials and Fibers, Nanya Institute of Technology, Jhongli 32091, Taiwan
Correspondence e-mail: sun@tiit.edu.tw

In the title coordination polymer, {[Ag(C₁₂H₂₀N₂O₂)]ClO₄·0.5H₂O}_n, the Ag^I cation is coordinated by two N atoms from two 1,2-bis(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)ethane (L) ligands in a nearly linear geometry [N-Ag-N = 171.07 (8)°]. The L ligand bridges adjacent Ag⁺ cations, forming a polymeric chain running along the c axis. The lattice water molecule is situated on a twofold rotation axis, and links to the perchlorate anion via an O-HO hydrogen bond. The long AgO separation of 3.200 (4) Å indicates a weak interaction between the perchlorate anion and the Ag^I cation. Weak C-HO hydrogen bonding occurs between the chain and the lattice water molecule and between the chain and perchlorate anions. Both five-membered rings of the L ligand display envelope conformations; in one five-membered ring, the flap C atom is disordered on opposite sides of the ring with occupancies of 0.65 and 0.35.

Related literature

For background to coordination polymers with organic ligands, see: Kitagawa et al. (2004); Chiang et al. (2008); Yeh et al. (2008, 2009); Hsu et al. (2009). For related structures, see: Wang et al. (2008, 2011); Suen et al. (2011).

Experimental

Crystal data

[Ag(C₁₂H₂₀N₂O₂)]ClO₄·0.5H₂O
M_r = 881.26
Monoclinic, C 2/c
a = 25.3322 (19) Å
b = 11.2100 (9) Å
c = 12.3721 (9) Å
= 97.917 (1)°
V = 3479.9 (5) Å³
Z = 4
Mo K radiation
= 1.34 mm^-1
T = 297 K
0.5 × 0.4 × 0.4 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2000) T_min = 0.753, T_max = 1.000
9583 measured reflections
3424 independent reflections
2914 reflections with I > 2(I)
R_int = 0.019

Refinement

R[F² > 2(F²)] = 0.029
wR(F²) = 0.090
S = 1.23
3424 reflections
217 parameters
H atoms treated by a mixture of independent and constrained refinement
_max = 0.49 e Å^-3
_min = -0.41 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O7-H7CO3	0.87 (5)	2.06 (5)	2.926 (4)	175 (4)
C4-H4CO7ⁱ	0.97	2.47	3.379 (4)	156
C5-H5BO5ⁱⁱ	0.97	2.39	3.289 (5)	153
Symmetry codes: (i) -x, -y, -z+1; (ii) $[x, -y, z-{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2010); cell refinement: SAINT (Bruker, 2010); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2010); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5506 ).

Acknowledgements

We are grateful to the National Science Council of the Republic of China and the Nanya Institute of Technology for support.

References

Brandenburg, K. (2010). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2000). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2010). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chiang, L.-M., Yeh, C.-W., Chan, Z.-K., Wang, K.-M., Chou, Y.-C., Chen, J.-D., Wang, J.-C. & Lai, J. Y. (2008). Cryst. Growth Des. 8, 470-477.
Hsu, Y.-F., Hu, H.-L., Wu, C.-J., Yeh, C.-W., Proserpio, D. M. & Chen, J.-D. (2009). CrystEngComm, 11, 168-176.
Kitagawa, S., Kitaura, R. & Noro, S. (2004). Angew. Chem. Int. Ed. 43, 2334-2375.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Suen, M.-C., Yeh, C.-W., Lin, S.-C. & Hsu, Y.-F. (2011). Acta Cryst. E67, m1099.
Wang, Y.-H., Lee, H.-T. & Suen, M.-C. (2008). Polyhedron, 27, 1177-1184.
Wang, P.-N., Yeh, C.-W., Lee, H.-T. & Suen, M.-C. (2011). Acta Cryst. E67, m1083.
Yeh, C.-W., Chen, T.-R., Chen, J.-D. & Wang, J.-C. (2009). Cryst. Growth Des. 9, 2595-2603.
Yeh, C.-W., Chen, J.-D. & Wang, J.-C. (2008). Polyhedron, 27, 3611-3618.

metal-organic compounds

catena-Poly[[silver(I)--1,2-bis(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)ethane-2N:N'] perchlorate hemihydrate]