Poly[[[[1-ethyl-6,8-difluoro-7-(3-methyl­piperazin-1-yl)-4-oxo-1,4-dihydro­quinoline-3-carboxyl­ato]cadmium]-μ-benzene-1,4-dicarboxyl­ato] trihydrate]

Kang, X.-P.; An, Z.; Kasimu, R.

doi:10.1107/S160053681004328X

Volume 66
Part 11
Pages m1490-m1491
November 2010

Received 21 October 2010
Accepted 23 October 2010
Online 31 October 2010

Key indicators
Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.009 Å
R = 0.044
wR = 0.135
Data-to-parameter ratio = 12.4
Details

Poly[[[[1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylato]cadmium]--benzene-1,4-dicarboxylato] trihydrate]

Xin-Ping Kang,^a,^b Zhe An ^b and Rena Kasimu ^a ^*

^aSchool of Pharmacological Sciences, Xinjiang Medical University, Urumqi 830054, People's Republic of China, and ^bSchool of Chemistry and Life Science, Guangdong University of Petrochemical Technology, Maoming 525000, People's Republic of China
Correspondence e-mail: kasimu_xmu@163.com

In the title layered coordination polymer, {[Cd(C₁₇H₁₈F₂N₃O₃)(C₈H₄O₄)]·3H₂O}_n, the Cd^II atom exhibits a very distorted CdO₆ octahedral geometry defined by one O³,O⁴-bidentate 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate (lome) ligand, one O,O'-bidentate benzene-1,4-dicarboxylate (bdc) dianion and two O-monodentate bdc dianions. Both the bdc species in the asymmetric unit are completed by crystallographic inversion symmetry. The bridging bdc dianions link the cadmium nodes into a rectangular grid lying parallel to (01 $[\overline{1}]$ ). A network of N-HO and O-HO hydrogen bonds helps to establish the packing.

Related literature

For background on the medicinal uses of lomefloxacin, see: Mizuki et al. (1996).

Experimental

Crystal data

[Cd(C₁₇H₁₈F₂N₃O₃)(C₈H₄O₄)]·3H₂O
M_r = 680.90
Triclinic, $[P \overline 1]$
a = 9.7924 (7) Å
b = 11.9788 (8) Å
c = 13.3981 (9) Å
= 114.138 (1)°
= 103.430 (1)°
= 100.295 (1)°
V = 1327.00 (16) Å³
Z = 2
Mo K radiation
= 0.90 mm^-1
T = 295 K
0.32 × 0.24 × 0.18 mm

Data collection

Bruker SMART CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001) T_min = 0.762, T_max = 0.855
6581 measured reflections
4624 independent reflections
4108 reflections with I > 2(I)
R_int = 0.014

Refinement

R[F² > 2(F²)] = 0.044
wR(F²) = 0.135
S = 1.11
4624 reflections
372 parameters
H-atom parameters constrained
_max = 1.76 e Å^-3
_min = -0.81 e Å^-3

Table 1
Selected bond lengths (Å)

Cd1-O6	2.213 (4)
Cd1-O3	2.238 (3)
Cd1-O7ⁱ	2.295 (4)
Cd1-O1	2.299 (4)
Cd1-O5	2.322 (4)
Cd1-O4	2.510 (4)
Symmetry code: (i) -x+1, -y+1, -z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N3-H3AO8	0.86	2.33	2.749 (8)	110
O8-H8AO2ⁱⁱ	0.85	2.02	2.854 (7)	166
O8-H8BO4ⁱⁱⁱ	0.85	2.01	2.837 (7)	166
O9-H9BO10^iv	0.85	1.84	2.687 (14)	178
O9-H9AO5^v	0.85	1.93	2.784 (9)	178
O10-H5OO2	0.85	2.13	2.971 (10)	171
O10-H6OO9	0.85	2.42	2.957 (14)	121
Symmetry codes: (ii) -x+2, -y, -z+1; (iii) x, y-1, z-1; (iv) -x+1, -y, -z+2; (v) x, y-1, z.

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; 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.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB5699 ).

Acknowledgements

The authors acknowledge financial support from Xinjiang Medical University and Guangdong University of Petrochemical Technology.

References

Bruker (2001). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Mizuki, Y., Fujiwara, I. & Yamaguchi, T. (1996). J. Antimicrob. Chemother. 37 (Suppl. A), 41-45.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds