catena-Poly[[(8-amino-quinoline-κN,N')cadmium]-di-μ-thio-cyanato-κN:S;κS:N-[(8-amino-quinoline-κN,N')cadmium]-di-μ-chlorido].

In the title compound, [CdCl(NCS)(C(9)H(8)N(2))](n), the Cd(II) atom is in a distorted octa-hedral coordination environment defined by two chloride anions, two N atoms from an 8-amino-quinoline ligand, one N atom from one thio-cyanate anion and one S atom from a symmetry-related thio-cyanate anion. Two Cd(II) atoms are bridged by two chloride anions, forming an inversion-related Cd(2)Cl(2) unit; these units are further linked through thio-cyanate anions, leading to a chain structure extending parallel to [010]. Weak π-π stacking inter-actions with centroid-centroid distances of 3.430 (4) Å and an inter-planar separation of 3.390 (3) Å between the pyridine and benzene rings link the chains into a two-dimensional network parallel to (10[Formula: see text]). Weak inter-molecular C-H⋯Cl hydrogen-bonding inter-actions help to consolidate the crystal packing.

Related literature

For background and applications of 8-amino­quinoline and its derivatives, see: Fritsch et al. (2006 ▶); Kim et al. (2004 ▶); Li et al. (2005 ▶); Macias et al. (2003 ▶); Bortoluzzi et al. (2006 ▶); Tekwami & Walker (2006 ▶).

Experimental

Crystal data

[CdCl(NCS)(C9H8N2)]

M = 350.10

Triclinic,

a = 7.4965 (6) Å

b = 8.6245 (7) Å

c = 10.5247 (12) Å

α = 106.649 (7)°

β = 98.047 (7)°

γ = 112.561 (5)°

V = 577.53 (9) Å3

Z = 2

Mo Kα radiation

μ = 2.28 mm−1

T = 293 K

0.22 × 0.20 × 0.18 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2000 ▶) T min = 0.635, T max = 0.685

5150 measured reflections

2104 independent reflections

1961 reflections with I > 2σ(I)

R int = 0.021

Refinement

R[F 2 > 2σ(F 2)] = 0.021

wR(F 2) = 0.051

S = 1.04

2104 reflections

153 parameters

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.74 e Å−3

Δρmin = −0.50 e Å−3

Data collection: SMART (Bruker, 2000 ▶); cell refinement: SAINT (Bruker, 2000 ▶); data reduction: SAINT; 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: publCIF (Westrip, 2010 ▶).

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811051373/wm2567sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811051373/wm2567Isup2.hkl

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

[CdCl(NCS)(C9H8N2)]	Z = 2
Mr = 350.10	F(000) = 340
Triclinic, P1	Dx = 2.013 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.4965 (6) Å	Cell parameters from 5150 reflections
b = 8.6245 (7) Å	θ = 2.1–25.5°
c = 10.5247 (12) Å	µ = 2.28 mm−1
α = 106.649 (7)°	T = 293 K
β = 98.047 (7)°	Block, colorless
γ = 112.561 (5)°	0.22 × 0.20 × 0.18 mm
V = 577.53 (9) Å3

Bruker SMART CCD area-detector diffractometer	2104 independent reflections
Radiation source: sealed tube	1961 reflections with I > 2σ(I)
graphite	Rint = 0.021
phi and ω scans	θmax = 25.5°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −9→9
Tmin = 0.635, Tmax = 0.685	k = −10→10
5150 measured reflections	l = −12→12

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)] = 0.021	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.051	H atoms treated by a mixture of independent and constrained refinement
S = 1.04	w = 1/[σ2(Fo2) + (0.0243P)2 + 0.2713P] where P = (Fo2 + 2Fc2)/3
2104 reflections	(Δ/σ)max = 0.002
153 parameters	Δρmax = 0.74 e Å−3
0 restraints	Δρmin = −0.50 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
Cd1	0.62856 (3)	−0.10583 (2)	0.594940 (19)	0.03402 (8)
Cl1	0.56554 (12)	−0.11665 (9)	0.34743 (7)	0.04336 (17)
N1	0.7549 (3)	0.0017 (3)	0.8336 (2)	0.0356 (5)
N2	0.9449 (5)	0.1523 (4)	0.6597 (3)	0.0515 (7)
N3	0.2515 (4)	−0.6802 (3)	0.4552 (3)	0.0456 (6)
S1	0.26442 (11)	−0.34111 (9)	0.57610 (9)	0.0464 (2)
C1	0.6679 (4)	−0.0751 (4)	0.9132 (3)	0.0431 (7)
H1	0.5546	−0.1865	0.8719	0.052*
C2	0.7371 (5)	0.0024 (5)	1.0580 (3)	0.0518 (8)
H2	0.6710	−0.0569	1.1110	0.062*
C3	0.9004 (5)	0.1638 (5)	1.1190 (3)	0.0525 (8)
H3	0.9471	0.2172	1.2149	0.063*
C4	1.0010 (4)	0.2524 (4)	1.0383 (3)	0.0425 (7)
C5	1.1737 (5)	0.4201 (4)	1.0939 (3)	0.0576 (9)
H5	1.2259	0.4794	1.1893	0.069*
C6	1.2648 (5)	0.4961 (4)	1.0102 (4)	0.0610 (9)
H6	1.3781	0.6077	1.0487	0.073*
C7	1.1906 (5)	0.4087 (4)	0.8661 (4)	0.0526 (8)
H7	1.2563	0.4622	0.8101	0.063*
C8	1.0226 (4)	0.2458 (4)	0.8069 (3)	0.0394 (6)
C9	0.9235 (4)	0.1647 (3)	0.8922 (3)	0.0322 (6)
C10	0.2613 (4)	−0.5392 (4)	0.5052 (3)	0.0344 (6)
H8A	0.925 (7)	0.225 (6)	0.623 (5)	0.097 (16)*
H8B	1.026 (8)	0.108 (7)	0.629 (5)	0.110 (19)*

	U11	U22	U33	U12	U13	U23
Cd1	0.03527 (12)	0.03000 (12)	0.02813 (13)	0.01083 (9)	0.00321 (9)	0.00685 (9)
Cl1	0.0617 (4)	0.0430 (4)	0.0277 (4)	0.0279 (3)	0.0119 (3)	0.0102 (3)
N1	0.0353 (12)	0.0390 (12)	0.0320 (12)	0.0179 (10)	0.0070 (10)	0.0116 (10)
N2	0.0512 (16)	0.0495 (16)	0.0336 (15)	0.0056 (13)	0.0091 (13)	0.0125 (13)
N3	0.0408 (13)	0.0354 (13)	0.0548 (16)	0.0181 (11)	0.0078 (12)	0.0098 (12)
S1	0.0342 (4)	0.0322 (3)	0.0633 (5)	0.0124 (3)	0.0163 (4)	0.0069 (3)
C1	0.0396 (15)	0.0500 (17)	0.0483 (18)	0.0219 (14)	0.0149 (14)	0.0263 (15)
C2	0.0520 (19)	0.081 (2)	0.0423 (19)	0.0389 (19)	0.0210 (16)	0.0334 (18)
C3	0.057 (2)	0.081 (2)	0.0314 (16)	0.047 (2)	0.0127 (15)	0.0168 (16)
C4	0.0407 (15)	0.0524 (17)	0.0318 (15)	0.0298 (14)	0.0017 (13)	0.0036 (13)
C5	0.0508 (19)	0.0547 (19)	0.0415 (19)	0.0243 (16)	−0.0083 (16)	−0.0088 (16)
C6	0.0453 (18)	0.0422 (17)	0.061 (2)	0.0074 (15)	−0.0031 (17)	−0.0022 (16)
C7	0.0433 (17)	0.0392 (16)	0.058 (2)	0.0078 (14)	0.0083 (16)	0.0125 (15)
C8	0.0376 (15)	0.0378 (14)	0.0349 (16)	0.0146 (12)	0.0050 (13)	0.0082 (12)
C9	0.0302 (13)	0.0328 (13)	0.0285 (14)	0.0161 (11)	0.0021 (11)	0.0043 (11)
C10	0.0237 (12)	0.0378 (15)	0.0366 (15)	0.0096 (11)	0.0064 (11)	0.0137 (12)

Cd1—N3i	2.311 (2)	C1—C2	1.402 (4)
Cd1—N1	2.322 (2)	C1—H1	0.9300
Cd1—N2	2.382 (3)	C2—C3	1.345 (5)
Cd1—Cl1	2.5495 (8)	C2—H2	0.9300
Cd1—S1	2.6413 (8)	C3—C4	1.408 (5)
Cd1—Cl1ii	2.8088 (7)	C3—H3	0.9300
Cl1—Cd1ii	2.8088 (7)	C4—C5	1.406 (5)
N1—C1	1.306 (4)	C4—C9	1.421 (4)
N1—C9	1.370 (3)	C5—C6	1.352 (5)
N2—C8	1.436 (4)	C5—H5	0.9300
N2—H8A	0.87 (5)	C6—C7	1.402 (5)
N2—H8B	0.88 (5)	C6—H6	0.9300
N3—C10	1.147 (3)	C7—C8	1.367 (4)
N3—Cd1i	2.311 (2)	C7—H7	0.9300
S1—C10	1.646 (3)	C8—C9	1.413 (4)
N3i—Cd1—N1	96.56 (8)	N1—C1—H1	118.4
N3i—Cd1—N2	96.66 (11)	C2—C1—H1	118.4
N1—Cd1—N2	72.51 (9)	C3—C2—C1	119.0 (3)
N3i—Cd1—Cl1	92.72 (7)	C3—C2—H2	120.5
N1—Cd1—Cl1	161.21 (6)	C1—C2—H2	120.5
N2—Cd1—Cl1	90.24 (7)	C2—C3—C4	120.3 (3)
N3i—Cd1—S1	94.00 (6)	C2—C3—H3	119.9
N1—Cd1—S1	97.09 (6)	C4—C3—H3	119.9
N2—Cd1—S1	165.86 (8)	C5—C4—C3	123.8 (3)
Cl1—Cd1—S1	98.53 (3)	C5—C4—C9	118.6 (3)
N3i—Cd1—Cl1ii	172.43 (6)	C3—C4—C9	117.5 (3)
N1—Cd1—Cl1ii	84.41 (6)	C6—C5—C4	120.7 (3)
N2—Cd1—Cl1ii	90.80 (10)	C6—C5—H5	119.6
Cl1—Cd1—Cl1ii	88.55 (2)	C4—C5—H5	119.6
S1—Cd1—Cl1ii	78.43 (2)	C5—C6—C7	120.8 (3)
Cd1—Cl1—Cd1ii	91.45 (2)	C5—C6—H6	119.6
C1—N1—C9	119.4 (2)	C7—C6—H6	119.6
C1—N1—Cd1	124.5 (2)	C8—C7—C6	120.8 (3)
C9—N1—Cd1	115.88 (17)	C8—C7—H7	119.6
C8—N2—Cd1	112.08 (19)	C6—C7—H7	119.6
C8—N2—H8A	109 (3)	C7—C8—C9	119.5 (3)
Cd1—N2—H8A	107 (3)	C7—C8—N2	121.9 (3)
C8—N2—H8B	109 (3)	C9—C8—N2	118.6 (2)
Cd1—N2—H8B	105 (3)	N1—C9—C8	119.8 (2)
H8A—N2—H8B	116 (4)	N1—C9—C4	120.6 (3)
C10—N3—Cd1i	156.0 (2)	C8—C9—C4	119.6 (3)
C10—S1—Cd1	104.03 (9)	N3—C10—S1	177.4 (2)
N1—C1—C2	123.1 (3)
C9—N1—C1—C2	0.9 (4)	Cd1—N2—C8—C9	8.6 (4)
Cd1—N1—C1—C2	−173.5 (2)	C1—N1—C9—C8	177.8 (2)
N1—C1—C2—C3	0.2 (5)	Cd1—N1—C9—C8	−7.3 (3)
C1—C2—C3—C4	−0.6 (5)	C1—N1—C9—C4	−1.6 (4)
C2—C3—C4—C5	−179.3 (3)	Cd1—N1—C9—C4	173.23 (18)
C2—C3—C4—C9	−0.1 (4)	C7—C8—C9—N1	179.8 (3)
C3—C4—C5—C6	178.9 (3)	N2—C8—C9—N1	−1.2 (4)
C9—C4—C5—C6	−0.2 (4)	C7—C8—C9—C4	−0.7 (4)
C4—C5—C6—C7	−0.7 (5)	N2—C8—C9—C4	178.3 (3)
C5—C6—C7—C8	0.9 (5)	C5—C4—C9—N1	−179.6 (3)
C6—C7—C8—C9	−0.2 (5)	C3—C4—C9—N1	1.2 (4)
C6—C7—C8—N2	−179.2 (3)	C5—C4—C9—C8	1.0 (4)
Cd1—N2—C8—C7	−172.4 (2)	C3—C4—C9—C8	−178.2 (2)

D—H···A	D—H	H···A	D···A	D—H···A
C2—H2···Cl1iii	0.93	2.84	3.723 (4)	160

Table 1

Selected bond lengths (Å)

Cd1—N3i	2.311 (2)
Cd1—N1	2.322 (2)
Cd1—N2	2.382 (3)
Cd1—Cl1	2.5495 (8)
Cd1—S1	2.6413 (8)
Cd1—Cl1ii	2.8088 (7)

Symmetry codes: (i) ; (ii) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C2—H2⋯Cl1iii	0.93	2.84	3.723 (4)	160

Symmetry code: (iii) .