catena-Poly[[dichloridocobalt(II)]-μ-1,3-di-4-pyridylpropane-κN:N'].

In the title compound, [CoCl(2)(C(13)H(14)N(2))](n), 1,3-bis-(4-pyrid-yl)propane (bpp) ligands bridge four-coordinate Co atoms, generating an extended one-dimensional zigzag chain. Both the Co and two Cl atoms in the tetrahedral coordination polyhedron lie on a mirror plane, while the bbp ligand is bis-ected through the central C atom in the chain by a second mirror plane. There are some π-π stacking inter-ations in the crystal structure, with inter-planar distances of 3.449 Å, which are responsible for the supra-molecular assembly.

Related literature

For related literature, see: Batten et al. (1999 ▶); Chen et al. (2004 ▶); Grosshans et al. (2004 ▶); Lee et al. (2004 ▶); Maji et al. (2005 ▶); Niu et al. (2003 ▶); Paz & Klinowski (2004 ▶); Carlucci et al. (1997 ▶); Pan et al. (2001 ▶).

Experimental

Crystal data

[CoCl2(C13H14N2)]

M = 328.09

Monoclinic,

a = 5.1899 (10) Å

b = 12.989 (3) Å

c = 10.490 (2) Å

β = 93.58 (3)°

V = 705.8 (3) Å3

Z = 2

Mo Kα radiation

μ = 1.58 mm−1

T = 295 (2) K

0.36 × 0.25 × 0.13 mm

Data collection

Rigaku R-AXIS RAPID diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.628, T max = 0.813

6891 measured reflections

1678 independent reflections

1307 reflections with I > 2σ(I)

R int = 0.057

Refinement

R[F 2 > 2σ(F 2)] = 0.043

wR(F 2) = 0.098

S = 1.03

1678 reflections

88 parameters

H-atom parameters constrained

Δρmax = 0.56 e Å−3

Δρmin = −0.32 e Å−3

Data collection: RAPID-AUTO (Rigaku, 1998 ▶); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEPII (Johnson, 1976 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808020862/bg2192sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808020862/bg2192Isup2.hkl

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

[CoCl2(C13H14N2)]	F000 = 334
Mr = 328.09	Dx = 1.544 Mg m−3
Monoclinic, P21/m	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2yb	Cell parameters from 4916 reflections
a = 5.1899 (10) Å	θ = 3.1–27.5º
b = 12.989 (3) Å	µ = 1.58 mm−1
c = 10.490 (2) Å	T = 295 (2) K
β = 93.58 (3)º	Palte, purple
V = 705.8 (3) Å3	0.36 × 0.25 × 0.13 mm
Z = 2

Rigaku R-AXIS RAPID diffractometer	1678 independent reflections
Radiation source: fine-focus sealed tube	1307 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.057
Detector resolution: 0 pixels mm-1	θmax = 27.5º
T = 295(2) K	θmin = 3.1º
ω scans	h = −6→6
Absorption correction: multi-scan(ABSCOR; Higashi, 1995)	k = −16→16
Tmin = 0.628, Tmax = 0.813	l = −13→13
6891 measured reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.043	H-atom parameters constrained
wR(F2) = 0.098	w = 1/[σ2(Fo2) + (0.0331P)2 + 0.5699P] where P = (Fo2 + 2Fc2)/3
S = 1.03	(Δ/σ)max < 0.001
1678 reflections	Δρmax = 0.56 e Å−3
88 parameters	Δρmin = −0.32 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

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
Co1	0.45224 (11)	0.2500	0.72216 (5)	0.0469 (2)
Cl1	0.5449 (2)	0.2500	0.51643 (11)	0.0644 (3)
Cl2	0.7429 (2)	0.2500	0.89105 (11)	0.0563 (3)
N1	0.2438 (5)	0.38105 (17)	0.7418 (2)	0.0456 (5)
C1	−0.1030 (6)	0.4919 (2)	0.6704 (3)	0.0541 (8)
H1A	−0.2369	0.5056	0.6097	0.065*
C2	0.0502 (6)	0.4066 (2)	0.6576 (3)	0.0543 (8)
H2A	0.0175	0.3645	0.5867	0.065*
C3	0.2864 (6)	0.4443 (2)	0.8422 (3)	0.0515 (7)
H3A	0.4195	0.4283	0.9025	0.062*
C4	0.1436 (6)	0.5310 (2)	0.8601 (3)	0.0528 (7)
H4A	0.1821	0.5727	0.9309	0.063*
C5	−0.0580 (6)	0.5572 (2)	0.7735 (3)	0.0463 (7)
C6	−0.2140 (6)	0.6529 (2)	0.7913 (3)	0.0523 (7)
H6A	−0.2666	0.6554	0.8784	0.063*
H6B	−0.3688	0.6506	0.7346	0.063*
C7	−0.0613 (8)	0.7500	0.7639 (4)	0.0476 (9)
H7A	−0.0195	0.7500	0.6750	0.057*
H7B	0.0993	0.7500	0.8163	0.057*

	U11	U22	U33	U12	U13	U23
Co1	0.0569 (4)	0.0384 (3)	0.0452 (3)	0.000	0.0009 (3)	0.000
Cl1	0.0673 (7)	0.0813 (8)	0.0442 (6)	0.000	0.0004 (5)	0.000
Cl2	0.0634 (7)	0.0500 (6)	0.0539 (6)	0.000	−0.0076 (5)	0.000
N1	0.0506 (13)	0.0385 (11)	0.0474 (14)	−0.0043 (11)	0.0002 (11)	0.0027 (10)
C1	0.0570 (17)	0.0463 (16)	0.0573 (19)	−0.0023 (15)	−0.0108 (15)	0.0018 (13)
C2	0.0651 (19)	0.0453 (16)	0.0514 (18)	−0.0055 (15)	−0.0057 (15)	−0.0044 (13)
C3	0.0586 (18)	0.0419 (15)	0.0528 (18)	0.0007 (14)	−0.0070 (14)	−0.0038 (12)
C4	0.0604 (18)	0.0430 (15)	0.0541 (18)	−0.0034 (15)	−0.0029 (14)	−0.0070 (13)
C5	0.0475 (15)	0.0373 (14)	0.0545 (17)	−0.0088 (12)	0.0053 (13)	0.0040 (12)
C6	0.0515 (16)	0.0409 (15)	0.065 (2)	−0.0007 (14)	0.0092 (15)	0.0043 (13)
C7	0.050 (2)	0.0363 (19)	0.057 (3)	0.000	0.0068 (19)	0.000

Co1—N1i	2.034 (2)	C3—H3A	0.9300
Co1—N1	2.034 (2)	C4—C5	1.385 (4)
Co1—Cl1	2.2400 (14)	C4—H4A	0.9300
Co1—Cl2	2.2539 (14)	C5—C6	1.501 (4)
N1—C2	1.338 (4)	C6—C7	1.526 (4)
N1—C3	1.343 (4)	C6—H6A	0.9700
C1—C2	1.375 (4)	C6—H6B	0.9700
C1—C5	1.383 (4)	C7—C6ii	1.526 (4)
C1—H1A	0.9300	C7—H7A	0.9700
C2—H2A	0.9300	C7—H7B	0.9700
C3—C4	1.368 (4)
N1i—Co1—N1	113.61 (13)	C3—C4—C5	120.4 (3)
N1i—Co1—Cl1	104.19 (7)	C3—C4—H4A	119.8
N1—Co1—Cl1	104.19 (7)	C5—C4—H4A	119.8
N1i—Co1—Cl2	104.73 (7)	C1—C5—C4	116.5 (3)
N1—Co1—Cl2	104.73 (7)	C1—C5—C6	122.6 (3)
Cl1—Co1—Cl2	125.73 (5)	C4—C5—C6	120.9 (3)
C2—N1—C3	116.5 (3)	C5—C6—C7	111.7 (3)
C2—N1—Co1	121.5 (2)	C5—C6—H6A	109.3
C3—N1—Co1	121.9 (2)	C7—C6—H6A	109.3
C2—C1—C5	120.0 (3)	C5—C6—H6B	109.3
C2—C1—H1A	120.0	C7—C6—H6B	109.3
C5—C1—H1A	120.0	H6A—C6—H6B	107.9
N1—C2—C1	123.4 (3)	C6—C7—C6ii	111.4 (3)
N1—C2—H2A	118.3	C6—C7—H7A	109.3
C1—C2—H2A	118.3	C6ii—C7—H7A	109.3
N1—C3—C4	123.2 (3)	C6—C7—H7B	109.3
N1—C3—H3A	118.4	C6ii—C7—H7B	109.3
C4—C3—H3A	118.4	H7A—C7—H7B	108.0
C5—C6—C7—C6ii	−176.0 (2)

Table 1

Selected bond lengths (Å)

Co1—N1	2.034 (2)
Co1—Cl1	2.2400 (14)
Co1—Cl2	2.2539 (14)