Poly[(μ(2)-quinoline-3-carboxyl-ato-κN:O)(μ(2)-quinoline-3-carboxyl-ato-κN:O,O')cadmium].

In the title compound, [Cd(C(10)H(6)NO(2))(2)](n), the Cd(II) atom is coordinated by three O atoms and two N atoms from four quinoline-3-carboxyl-ate (L(-)) ligands, leading to a distorted trigonal-bipyramidal geometry. The L(-) ligands link the Cd(II) atoms into a plane parallel to (100), with one ligand being tridentate, coordinating via the N atom and chelating a second Cd atom, and the other being bidentate, bridging two Cd atoms via the N and one O atom.. This two-dimensional network extends into a double-layer network by π-π inter-actions, with centroid-centroid distances of 3.680 (2) and 3.752 (2) Å. Another type of π-π inter-action between pyridine rings [centroid-centroid distance = 3.527 (2) Å] leads to a three-dimensional supra-molecular architecture.

Related literature

For background to the applications of cadmium coordination polymers and nicotinic acids, see: Niu et al. (2006 ▶); Song et al. (2006 ▶), Chen (2003) ▶; Chi et al. (2007 ▶); Lu et al. (2007 ▶). For a closely related structure, see: Hu et al. (2007 ▶).

Experimental

Crystal data

[Cd(C10H6NO2)2]

M = 456.72

Monoclinic,

a = 28.5458 (19) Å

b = 8.2274 (5) Å

c = 15.381 (1) Å

β = 112.708 (1)°

V = 3332.3 (4) Å3

Z = 8

Mo Kα radiation

μ = 1.34 mm−1

T = 153 K

0.13 × 0.11 × 0.10 mm

Data collection

Rigaku Saturn 724+ CCD area-detector diffractometer

Absorption correction: multi-scan (CrystalClear; Rigaku, 2007 ▶) T min = 0.845, T max = 0.910

7361 measured reflections

3014 independent reflections

2659 reflections with I > 2σ(I)

R int = 0.015

Refinement

R[F 2 > 2σ(F 2)] = 0.019

wR(F 2) = 0.051

S = 1.10

3014 reflections

244 parameters

H-atom parameters constrained

Δρmax = 0.33 e Å−3

Δρmin = −0.25 e Å−3

Data collection: CrystalClear (Rigaku, 2007 ▶); 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: CrystalClear (Rigaku, 2007 ▶) and DIAMOND (Brandenburg, 1998 ▶); software used to prepare material for publication: SHELXTL (Sheldrick, 2008 ▶).

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536812001031/vn2029sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812001031/vn2029Isup2.hkl

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

[Cd(C10H6NO2)2]	F(000) = 1808
Mr = 456.72	Dx = 1.821 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 6971 reflections
a = 28.5458 (19) Å	θ = 2.8–29.2°
b = 8.2274 (5) Å	µ = 1.34 mm−1
c = 15.381 (1) Å	T = 153 K
β = 112.708 (1)°	Prism, colourless
V = 3332.3 (4) Å3	0.13 × 0.11 × 0.10 mm
Z = 8

Rigaku Saturn 724+ CCD area-detector diffractometer	3014 independent reflections
Radiation source: fine-focus sealed tube	2659 reflections with I > 2σ(I)
graphite	Rint = 0.015
Detector resolution: 28.5714 pixels mm-1	θmax = 25.3°, θmin = 3.1°
ω scans	h = −34→34
Absorption correction: multi-scan (CrystalClear; Rigaku, 2007)	k = −9→9
Tmin = 0.845, Tmax = 0.910	l = −12→18
7361 measured reflections

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)] = 0.019	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.051	H-atom parameters constrained
S = 1.10	w = 1/[σ2(Fo2) + (0.0291P)2 + 0.9823P] where P = (Fo2 + 2Fc2)/3
3014 reflections	(Δ/σ)max = 0.002
244 parameters	Δρmax = 0.33 e Å−3
0 restraints	Δρmin = −0.25 e Å−3

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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
C1	0.34654 (8)	0.4503 (3)	0.04346 (16)	0.0215 (5)
C2	0.32133 (8)	0.6060 (2)	−0.00212 (15)	0.0175 (4)
C3	0.34221 (7)	0.7571 (2)	0.03538 (14)	0.0179 (4)
H3	0.3719	0.7577	0.0895	0.021*
C4	0.27770 (8)	0.8986 (2)	−0.08096 (14)	0.0171 (4)
C5	0.25472 (8)	0.7512 (2)	−0.12288 (15)	0.0184 (4)
C6	0.27767 (8)	0.6043 (2)	−0.08109 (15)	0.0196 (5)
H6	0.2630	0.5057	−0.1074	0.023*
C7	0.25462 (8)	1.0467 (3)	−0.12039 (16)	0.0229 (5)
H7	0.2697	1.1447	−0.0939	0.028*
C8	0.20978 (9)	1.0464 (3)	−0.19802 (16)	0.0285 (5)
H8	0.1940	1.1444	−0.2227	0.034*
C9	0.18757 (9)	0.9000 (3)	−0.24036 (17)	0.0305 (6)
H9	0.1577	0.9019	−0.2941	0.037*
C10	0.20908 (8)	0.7552 (3)	−0.20397 (16)	0.0251 (5)
H10	0.1938	0.6587	−0.2324	0.030*
C11	0.40746 (8)	0.0031 (2)	−0.24972 (14)	0.0197 (5)
C12	0.43039 (8)	0.0798 (2)	−0.15411 (14)	0.0176 (4)
C13	0.40592 (8)	0.0688 (2)	−0.09095 (14)	0.0186 (4)
H13	0.3751	0.0139	−0.1106	0.022*
C14	0.47532 (8)	0.1623 (3)	−0.12613 (15)	0.0203 (5)
H14	0.4921	0.1728	−0.1671	0.024*
C15	0.49631 (8)	0.2315 (2)	−0.03555 (14)	0.0191 (5)
C16	0.46983 (8)	0.2114 (2)	0.02540 (14)	0.0175 (4)
C17	0.49105 (8)	0.2735 (2)	0.11748 (15)	0.0223 (5)
H17	0.4741	0.2599	0.1579	0.027*
C18	0.53653 (9)	0.3542 (3)	0.14796 (16)	0.0273 (5)
H18	0.5507	0.3935	0.2094	0.033*
C19	0.56197 (9)	0.3778 (3)	0.08655 (18)	0.0305 (6)
H19	0.5925	0.4344	0.1074	0.037*
C20	0.54238 (8)	0.3188 (3)	−0.00257 (17)	0.0275 (5)
H20	0.5595	0.3361	−0.0424	0.033*
N1	0.32245 (6)	0.89871 (19)	−0.00119 (12)	0.0168 (4)
N2	0.42383 (6)	0.13141 (19)	−0.00532 (12)	0.0174 (4)
O1	0.32218 (6)	0.32240 (18)	0.00681 (12)	0.0311 (4)
O2	0.38802 (6)	0.45193 (19)	0.11082 (12)	0.0291 (4)
O3	0.36675 (6)	−0.07521 (18)	−0.27266 (10)	0.0245 (3)
O4	0.43035 (6)	0.02228 (19)	−0.30471 (10)	0.0268 (4)
Cd1	0.371129 (5)	0.122196 (17)	0.077597 (10)	0.01700 (7)

	U11	U22	U33	U12	U13	U23
C1	0.0258 (12)	0.0175 (11)	0.0264 (12)	0.0042 (10)	0.0158 (10)	0.0032 (9)
C2	0.0195 (11)	0.0155 (10)	0.0209 (11)	0.0021 (9)	0.0117 (9)	0.0024 (8)
C3	0.0165 (11)	0.0186 (11)	0.0186 (11)	0.0012 (9)	0.0068 (9)	0.0008 (9)
C4	0.0174 (10)	0.0187 (11)	0.0170 (11)	0.0003 (9)	0.0086 (9)	0.0014 (8)
C5	0.0182 (10)	0.0185 (10)	0.0200 (11)	0.0000 (9)	0.0091 (9)	0.0000 (9)
C6	0.0230 (11)	0.0142 (10)	0.0232 (12)	−0.0025 (9)	0.0108 (10)	−0.0027 (8)
C7	0.0253 (12)	0.0172 (11)	0.0256 (12)	0.0001 (10)	0.0092 (10)	0.0016 (9)
C8	0.0295 (13)	0.0254 (12)	0.0281 (13)	0.0087 (11)	0.0084 (11)	0.0100 (10)
C9	0.0237 (12)	0.0371 (14)	0.0228 (13)	0.0031 (11)	0.0003 (10)	0.0048 (10)
C10	0.0222 (12)	0.0255 (12)	0.0233 (12)	−0.0031 (10)	0.0040 (10)	−0.0016 (10)
C11	0.0226 (12)	0.0175 (10)	0.0163 (11)	0.0082 (10)	0.0044 (9)	0.0018 (8)
C12	0.0197 (11)	0.0166 (10)	0.0143 (11)	0.0043 (9)	0.0042 (9)	−0.0002 (8)
C13	0.0194 (11)	0.0176 (10)	0.0178 (11)	−0.0007 (9)	0.0060 (9)	0.0002 (8)
C14	0.0208 (11)	0.0224 (11)	0.0188 (11)	0.0031 (9)	0.0090 (9)	0.0018 (9)
C15	0.0172 (11)	0.0183 (10)	0.0195 (12)	0.0028 (9)	0.0046 (9)	0.0004 (9)
C16	0.0201 (11)	0.0128 (10)	0.0182 (11)	0.0026 (9)	0.0057 (9)	0.0012 (8)
C17	0.0266 (12)	0.0218 (11)	0.0176 (11)	−0.0006 (10)	0.0076 (9)	−0.0023 (9)
C18	0.0303 (13)	0.0255 (12)	0.0196 (12)	−0.0020 (11)	0.0024 (10)	−0.0051 (9)
C19	0.0218 (12)	0.0324 (14)	0.0328 (14)	−0.0109 (11)	0.0058 (10)	−0.0083 (10)
C20	0.0232 (12)	0.0304 (12)	0.0309 (14)	−0.0061 (10)	0.0126 (11)	−0.0029 (10)
N1	0.0178 (9)	0.0149 (9)	0.0176 (9)	0.0008 (7)	0.0067 (7)	0.0006 (7)
N2	0.0206 (9)	0.0171 (9)	0.0145 (9)	−0.0007 (7)	0.0067 (7)	0.0002 (7)
O1	0.0345 (9)	0.0137 (7)	0.0371 (10)	0.0016 (7)	0.0048 (8)	0.0015 (7)
O2	0.0267 (9)	0.0256 (9)	0.0300 (9)	0.0065 (7)	0.0054 (7)	0.0070 (7)
O3	0.0273 (9)	0.0259 (8)	0.0190 (8)	−0.0054 (7)	0.0075 (7)	−0.0051 (6)
O4	0.0263 (8)	0.0382 (9)	0.0167 (8)	−0.0031 (7)	0.0090 (7)	−0.0073 (7)
Cd1	0.02126 (10)	0.01480 (10)	0.01451 (10)	0.00057 (6)	0.00642 (7)	0.00132 (6)

C1—O2	1.236 (3)	C12—C13	1.401 (3)
C1—O1	1.267 (3)	C13—N2	1.320 (3)
C1—C2	1.504 (3)	C13—H13	0.9300
C2—C6	1.364 (3)	C14—C15	1.407 (3)
C2—C3	1.403 (3)	C14—H14	0.9300
C3—N1	1.322 (3)	C15—C20	1.410 (3)
C3—H3	0.9300	C15—C16	1.423 (3)
C4—N1	1.388 (3)	C16—N2	1.379 (3)
C4—C7	1.407 (3)	C16—C17	1.404 (3)
C4—C5	1.411 (3)	C17—C18	1.370 (3)
C5—C6	1.406 (3)	C17—H17	0.9300
C5—C10	1.414 (3)	C18—C19	1.410 (3)
C6—H6	0.9300	C18—H18	0.9300
C7—C8	1.373 (3)	C19—C20	1.355 (3)
C7—H7	0.9300	C19—H19	0.9300
C8—C9	1.399 (3)	C20—H20	0.9300
C8—H8	0.9300	N1—Cd1ii	2.3410 (16)
C9—C10	1.358 (3)	O3—Cd1i	2.3858 (15)
C9—H9	0.9300	O4—Cd1i	2.2770 (15)
C10—H10	0.9300	Cd1—N1iii	2.3410 (16)
C11—O3	1.255 (3)	Cd1—N2	2.3188 (17)
C11—O4	1.262 (2)	Cd1—O1	2.1625 (15)
C11—C12	1.499 (3)	Cd1—O3iv	2.3858 (15)
C11—Cd1i	2.658 (2)	Cd1—O4iv	2.2770 (15)
C12—C14	1.366 (3)	Cd1—C11iv	2.658 (2)
O2—C1—O1	124.4 (2)	C15—C14—H14	119.9
O2—C1—C2	120.84 (19)	C14—C15—C20	123.0 (2)
O1—C1—C2	114.72 (19)	C14—C15—C16	118.29 (19)
C6—C2—C3	118.19 (18)	C20—C15—C16	118.76 (19)
C6—C2—C1	120.99 (19)	N2—C16—C17	120.15 (18)
C3—C2—C1	120.81 (19)	N2—C16—C15	120.50 (18)
N1—C3—C2	124.21 (19)	C17—C16—C15	119.35 (19)
N1—C3—H3	117.9	C18—C17—C16	120.3 (2)
C2—C3—H3	117.9	C18—C17—H17	119.9
N1—C4—C7	119.89 (18)	C16—C17—H17	119.9
N1—C4—C5	120.76 (18)	C17—C18—C19	120.2 (2)
C7—C4—C5	119.35 (19)	C17—C18—H18	119.9
C6—C5—C4	118.53 (19)	C19—C18—H18	119.9
C6—C5—C10	122.08 (19)	C20—C19—C18	120.7 (2)
C4—C5—C10	119.38 (19)	C20—C19—H19	119.6
C2—C6—C5	120.16 (19)	C18—C19—H19	119.6
C2—C6—H6	119.9	C19—C20—C15	120.7 (2)
C5—C6—H6	119.9	C19—C20—H20	119.7
C8—C7—C4	119.8 (2)	C15—C20—H20	119.7
C8—C7—H7	120.1	C3—N1—C4	118.13 (17)
C4—C7—H7	120.1	C3—N1—Cd1ii	113.66 (13)
C7—C8—C9	120.6 (2)	C4—N1—Cd1ii	128.17 (13)
C7—C8—H8	119.7	C13—N2—C16	118.63 (17)
C9—C8—H8	119.7	C13—N2—Cd1	116.90 (14)
C10—C9—C8	120.8 (2)	C16—N2—Cd1	124.15 (13)
C10—C9—H9	119.6	C1—O1—Cd1	105.75 (14)
C8—C9—H9	119.6	C11—O3—Cd1i	88.09 (12)
C9—C10—C5	120.0 (2)	C11—O4—Cd1i	92.87 (13)
C9—C10—H10	120.0	O1—Cd1—O4iv	159.22 (6)
C5—C10—H10	120.0	O1—Cd1—N2	97.38 (6)
O3—C11—O4	122.58 (19)	O4iv—Cd1—N2	90.81 (5)
O3—C11—C12	119.90 (19)	O1—Cd1—N1iii	101.45 (6)
O4—C11—C12	117.52 (19)	O4iv—Cd1—N1iii	96.41 (6)
O3—C11—Cd1i	63.76 (11)	N2—Cd1—N1iii	97.04 (6)
O4—C11—Cd1i	58.81 (11)	O1—Cd1—O3iv	110.18 (6)
C12—C11—Cd1i	176.28 (16)	O4iv—Cd1—O3iv	56.46 (5)
C14—C12—C13	118.20 (19)	N2—Cd1—O3iv	145.40 (6)
C14—C12—C11	121.32 (19)	N1iii—Cd1—O3iv	97.50 (6)
C13—C12—C11	120.49 (19)	O1—Cd1—C11iv	136.51 (7)
N2—C13—C12	124.2 (2)	O4iv—Cd1—C11iv	28.31 (6)
N2—C13—H13	117.9	N2—Cd1—C11iv	118.46 (6)
C12—C13—H13	117.9	N1iii—Cd1—C11iv	97.88 (6)
C12—C14—C15	120.2 (2)	O3iv—Cd1—C11iv	28.14 (6)
C12—C14—H14	119.9
O2—C1—C2—C6	174.6 (2)	C17—C18—C19—C20	−1.2 (4)
O1—C1—C2—C6	−4.8 (3)	C18—C19—C20—C15	−0.5 (4)
O2—C1—C2—C3	−5.2 (3)	C14—C15—C20—C19	−177.5 (2)
O1—C1—C2—C3	175.38 (19)	C16—C15—C20—C19	2.2 (3)
C6—C2—C3—N1	−0.4 (3)	C2—C3—N1—C4	1.1 (3)
C1—C2—C3—N1	179.44 (18)	C2—C3—N1—Cd1ii	−176.85 (15)
N1—C4—C5—C6	1.1 (3)	C7—C4—N1—C3	178.10 (19)
C7—C4—C5—C6	−178.4 (2)	C5—C4—N1—C3	−1.4 (3)
N1—C4—C5—C10	179.84 (19)	C7—C4—N1—Cd1ii	−4.3 (3)
C7—C4—C5—C10	0.3 (3)	C5—C4—N1—Cd1ii	176.15 (14)
C3—C2—C6—C5	0.0 (3)	C12—C13—N2—C16	−0.8 (3)
C1—C2—C6—C5	−179.81 (18)	C12—C13—N2—Cd1	172.89 (16)
C4—C5—C6—C2	−0.4 (3)	C17—C16—N2—C13	−177.34 (19)
C10—C5—C6—C2	−179.1 (2)	C15—C16—N2—C13	2.5 (3)
N1—C4—C7—C8	−178.5 (2)	C17—C16—N2—Cd1	9.4 (3)
C5—C4—C7—C8	1.0 (3)	C15—C16—N2—Cd1	−170.71 (14)
C4—C7—C8—C9	−2.1 (4)	O2—C1—O1—Cd1	−5.0 (3)
C7—C8—C9—C10	1.9 (4)	C2—C1—O1—Cd1	174.42 (14)
C8—C9—C10—C5	−0.6 (4)	O4—C11—O3—Cd1i	−0.1 (2)
C6—C5—C10—C9	178.2 (2)	C12—C11—O3—Cd1i	179.26 (17)
C4—C5—C10—C9	−0.5 (3)	O3—C11—O4—Cd1i	0.1 (2)
O3—C11—C12—C14	178.30 (19)	C12—C11—O4—Cd1i	−179.27 (15)
O4—C11—C12—C14	−2.3 (3)	C1—O1—Cd1—O4iv	33.2 (2)
O3—C11—C12—C13	−1.9 (3)	C1—O1—Cd1—N2	−79.22 (14)
O4—C11—C12—C13	177.47 (19)	C1—O1—Cd1—N1iii	−177.98 (13)
C14—C12—C13—N2	−0.9 (3)	C1—O1—Cd1—O3iv	79.52 (14)
C11—C12—C13—N2	179.27 (18)	C1—O1—Cd1—C11iv	67.38 (17)
C13—C12—C14—C15	1.0 (3)	C13—N2—Cd1—O1	−77.63 (15)
C11—C12—C14—C15	−179.23 (19)	C16—N2—Cd1—O1	95.72 (15)
C12—C14—C15—C20	−179.7 (2)	C13—N2—Cd1—O4iv	121.51 (15)
C12—C14—C15—C16	0.7 (3)	C16—N2—Cd1—O4iv	−65.14 (15)
C14—C15—C16—N2	−2.5 (3)	C13—N2—Cd1—N1iii	24.95 (15)
C20—C15—C16—N2	177.84 (19)	C16—N2—Cd1—N1iii	−161.70 (15)
C14—C15—C16—C17	177.42 (19)	C13—N2—Cd1—O3iv	139.20 (14)
C20—C15—C16—C17	−2.3 (3)	C16—N2—Cd1—O3iv	−47.45 (19)
N2—C16—C17—C18	−179.46 (19)	C13—N2—Cd1—C11iv	127.90 (14)
C15—C16—C17—C18	0.7 (3)	C16—N2—Cd1—C11iv	−58.75 (16)
C16—C17—C18—C19	1.1 (3)

Table 1

Selected bond lengths (Å)

Cd1—N1i	2.3410 (16)
Cd1—N2	2.3188 (17)
Cd1—O1	2.1625 (15)
Cd1—O3ii	2.3858 (15)
Cd1—O4ii	2.2770 (15)

Symmetry codes: (i) ; (ii) .