catena-Poly[zinc(II)-μ-aqua-κO:O-bis-(μ-quinoline-4-carboxyl-ato-κO:O')].

The asymmetric unit of the title complex, [Zn(C(10)H(6)NO(2))(2)(H(2)O)](n), consists of one quinoline-4-carboxyl-ate anion, half of a Zn(2+) cation and half of a coordinated water mol-ecule. The cation and the water O atom have crystallographically imposed inversion and twofold rotation symmetry, respectively. The metal centre displays an elongated ZnO(6) octa-hedral coordination geometry provided by the O atoms of four anions at the equatorial plane and two axial water mol-ecules. Each anion and water mol-ecule act as bridges between Zn(II) cations, forming a polymeric chain parallel to [001]. The chains are further linked into a three-dimensional framework through O-H⋯N hydrogen bonds.

Related literature

For the coordination chemistry of transition metal complexes with quinoline-4-carboxyl­ate, see: Bu et al. (2004 ▶, 2005 ▶); Xiong et al. (2000 ▶); Chen et al. (2002 ▶).

Experimental

Crystal data

[Zn(C10H6NO2)2(H2O)]

M = 427.72

Monoclinic,

a = 14.929 (2) Å

b = 14.4025 (13) Å

c = 7.5428 (11) Å

β = 91.961 (6)°

V = 1620.8 (4) Å3

Z = 4

Mo Kα radiation

μ = 1.56 mm−1

T = 293 K

0.30 × 0.30 × 0.20 mm

Data collection

Rigaku SCXmini diffractometer

Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005 ▶) T min = 0.635, T max = 0.732

5552 measured reflections

1831 independent reflections

1741 reflections with I > 2σ(I)

R int = 0.030

Refinement

R[F 2 > 2σ(F 2)] = 0.026

wR(F 2) = 0.069

S = 1.09

1831 reflections

129 parameters

H-atom parameters constrained

Δρmax = 0.38 e Å−3

Δρmin = −0.82 e Å−3

Data collection: CrystalClear (Rigaku/MSC, 2005 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; 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.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809025392/rz2342sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809025392/rz2342Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Zn(C10H6NO2)2(H2O)]	F(000) = 872
Mr = 427.72	Dx = 1.753 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71070 Å
Hall symbol: -C 2yc	Cell parameters from 30 reflections
a = 14.929 (2) Å	θ = 3.3–27.5°
b = 14.4025 (13) Å	µ = 1.56 mm−1
c = 7.5428 (11) Å	T = 293 K
β = 91.961 (6)°	Block, light yellow
V = 1620.8 (4) Å3	0.30 × 0.30 × 0.20 mm
Z = 4

Rigaku SCXmini diffractometer	1831 independent reflections
Radiation source: fine-focus sealed tube	1741 reflections with I > 2σ(I)
graphite	Rint = 0.030
ω scans	θmax = 27.5°, θmin = 3.3°
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005)	h = −18→19
Tmin = 0.635, Tmax = 0.732	k = −15→18
5552 measured reflections	l = −7→9

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.026	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.069	H-atom parameters constrained
S = 1.09	w = 1/[σ2(Fo2) + (0.0375P)2 + 1.5104P] where P = (Fo2 + 2Fc2)/3
1831 reflections	(Δ/σ)max < 0.001
129 parameters	Δρmax = 0.38 e Å−3
0 restraints	Δρmin = −0.82 e Å−3

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq
Zn1	0.5000	0.5000	0.5000	0.01513 (10)
O1	0.40680 (9)	0.40753 (9)	0.38283 (15)	0.0330 (3)
O2	0.39589 (8)	0.42662 (9)	0.08731 (15)	0.0325 (3)
O3	0.5000	0.58494 (9)	0.2500	0.0162 (3)
N1	0.14620 (8)	0.20508 (9)	0.23221 (16)	0.0219 (3)
C1	0.22399 (11)	0.18428 (10)	0.3075 (2)	0.0224 (3)
C2	0.29962 (10)	0.24374 (10)	0.3085 (2)	0.0214 (3)
C3	0.29358 (10)	0.32726 (10)	0.22272 (18)	0.0179 (3)
C4	0.19859 (11)	0.43283 (11)	0.0286 (2)	0.0266 (3)
C5	0.11735 (13)	0.45081 (12)	−0.0528 (2)	0.0342 (4)
C6	0.04541 (12)	0.38852 (14)	−0.0379 (2)	0.0353 (4)
C7	0.05608 (11)	0.30808 (13)	0.0555 (2)	0.0293 (3)
C8	0.13929 (10)	0.28722 (10)	0.14128 (19)	0.0200 (3)
C9	0.21217 (9)	0.35055 (10)	0.13033 (18)	0.0185 (3)
C10	0.37322 (9)	0.39320 (10)	0.23183 (19)	0.0193 (3)
H1	0.2299	0.1255	0.3648	0.027*
H2	0.3543	0.2252	0.3697	0.026*
H3	0.2469	0.4754	0.0182	0.032*
H4	0.1092	0.5063	−0.1217	0.041*
H5	−0.0115	0.4034	−0.0929	0.043*
H6	0.0073	0.2655	0.0619	0.035*
H7	0.5454	0.6264	0.2501	0.021*

	U11	U22	U33	U12	U13	U23
Zn1	0.01229 (15)	0.01835 (14)	0.01481 (15)	0.00068 (7)	0.00133 (9)	−0.00354 (7)
O1	0.0360 (7)	0.0416 (7)	0.0210 (6)	−0.0229 (5)	−0.0037 (5)	−0.0001 (5)
O2	0.0303 (6)	0.0465 (7)	0.0211 (5)	−0.0222 (5)	0.0049 (5)	−0.0001 (5)
O3	0.0148 (6)	0.0152 (6)	0.0186 (7)	0.000	0.0000 (5)	0.000
N1	0.0216 (6)	0.0240 (6)	0.0203 (6)	−0.0082 (5)	0.0032 (5)	−0.0022 (5)
C1	0.0273 (8)	0.0196 (6)	0.0205 (7)	−0.0041 (6)	0.0028 (6)	0.0014 (5)
C2	0.0194 (7)	0.0261 (7)	0.0186 (6)	−0.0026 (5)	0.0004 (5)	−0.0005 (5)
C3	0.0182 (7)	0.0212 (6)	0.0144 (6)	−0.0058 (5)	0.0043 (5)	−0.0042 (5)
C4	0.0309 (8)	0.0220 (7)	0.0273 (7)	−0.0018 (6)	0.0061 (6)	0.0004 (6)
C5	0.0382 (10)	0.0338 (8)	0.0309 (9)	0.0100 (7)	0.0044 (7)	0.0077 (7)
C6	0.0255 (8)	0.0503 (10)	0.0299 (9)	0.0083 (7)	−0.0008 (7)	0.0037 (8)
C7	0.0192 (7)	0.0421 (9)	0.0268 (8)	−0.0034 (6)	0.0018 (6)	−0.0010 (7)
C8	0.0185 (7)	0.0250 (7)	0.0167 (6)	−0.0040 (5)	0.0030 (5)	−0.0026 (5)
C9	0.0196 (7)	0.0199 (6)	0.0162 (6)	−0.0029 (5)	0.0039 (5)	−0.0037 (5)
C10	0.0171 (7)	0.0217 (6)	0.0193 (7)	−0.0065 (5)	0.0023 (5)	−0.0032 (5)

Zn1—O2i	2.0090 (11)	C2—C3	1.367 (2)
Zn1—O2ii	2.0090 (11)	C2—H2	0.96
Zn1—O1iii	2.0991 (11)	C3—C9	1.420 (2)
Zn1—O1	2.0991 (11)	C3—C10	1.5213 (19)
Zn1—O3	2.2478 (7)	C4—C5	1.365 (3)
Zn1—O3iii	2.2478 (7)	C4—C9	1.422 (2)
O1—C10	1.2459 (18)	C4—H3	0.95
O2—C10	1.2489 (18)	C5—C6	1.407 (3)
O2—Zn1ii	2.0090 (11)	C5—H4	0.96
O3—Zn1ii	2.2478 (7)	C6—C7	1.362 (3)
O3—H7	0.90	C6—H5	0.96
N1—C1	1.310 (2)	C7—C8	1.413 (2)
N1—C8	1.3695 (19)	C7—H6	0.95
C1—C2	1.417 (2)	C8—C9	1.4244 (19)
C1—H1	0.95
O2i—Zn1—O2ii	180.0	C1—C2—H2	119.9
O2i—Zn1—O1iii	92.14 (6)	C2—C3—C9	118.77 (13)
O2ii—Zn1—O1iii	87.86 (6)	C2—C3—C10	119.28 (13)
O2i—Zn1—O1	87.86 (6)	C9—C3—C10	121.94 (13)
O2ii—Zn1—O1	92.14 (6)	C5—C4—C9	120.58 (15)
O1iii—Zn1—O1	180.0	C5—C4—H3	120.3
O2i—Zn1—O3	90.62 (4)	C9—C4—H3	119.1
O2ii—Zn1—O3	89.38 (4)	C4—C5—C6	120.78 (16)
O1iii—Zn1—O3	89.36 (4)	C4—C5—H4	119.8
O1—Zn1—O3	90.64 (4)	C6—C5—H4	119.4
O2i—Zn1—O3iii	89.38 (4)	C7—C6—C5	120.50 (16)
O2ii—Zn1—O3iii	90.62 (4)	C7—C6—H5	120.1
O1iii—Zn1—O3iii	90.64 (4)	C5—C6—H5	119.4
O1—Zn1—O3iii	89.36 (4)	C6—C7—C8	120.20 (15)
O3—Zn1—O3iii	180.00 (6)	C6—C7—H6	119.8
C10—O1—Zn1	136.90 (10)	C8—C7—H6	120.0
C10—O2—Zn1ii	136.44 (10)	N1—C8—C7	117.58 (13)
Zn1ii—O3—Zn1	114.05 (6)	N1—C8—C9	122.53 (13)
Zn1ii—O3—H7	109.9	C7—C8—C9	119.90 (14)
Zn1—O3—H7	112.4	C3—C9—C4	124.42 (13)
C1—N1—C8	117.71 (12)	C3—C9—C8	117.57 (13)
N1—C1—C2	123.96 (14)	C4—C9—C8	118.01 (14)
N1—C1—H1	117.8	O1—C10—O2	128.43 (13)
C2—C1—H1	118.2	O1—C10—C3	115.72 (13)
C3—C2—C1	119.31 (14)	O2—C10—C3	115.84 (13)
C3—C2—H2	120.8

D—H···A	D—H	H···A	D···A	D—H···A
O3—H7···N1iv	0.90	1.89	2.7920 (15)	174

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H7⋯N1i	0.90	1.89	2.7920 (15)	174

Symmetry code: (i) .