Di­chloro­tetrakis(3-hydroxy­pyridine)­cobalt(II)

In the title complex, [CoCl₂(C₅H₅NO)₄], the Co atom is in an elongated octahedral environment, defined by two Cl⁻ ions and four N atoms of 3-hydroxy­pyridine ligands. The Co atom lies on a special position with crystallographic twofold rotation symmetry. Individual mol­ecules are linked by intermolecular O—H...Cl hydrogen bonds into a layer structure.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.038
• wR factor = 0.098
• Data-to-parameter ratio = 17.6

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Computing details

Data collection: RAPID-AUTO (Rigaku Corporation, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC & Rigaku Corporation, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Dichlorotetrakis(3-hydroxypyridine)cobalt(II)

Crystal data

[CoCl2(C5H5NO)4]	F(000) = 1044
Mr = 510.23	Dx = 1.512 Mg m^−3
Orthorhombic, Pcca	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2a 2ac	Cell parameters from 15032 reflections
a = 15.651 (3) Å	θ = 3.1–27.5°
b = 7.597 (2) Å	µ = 1.04 mm^−1
c = 18.848 (4) Å	T = 293 K
V = 2241.0 (9) Å^3	Prism, pink
Z = 4	0.38 × 0.26 × 0.18 mm

Data collection

Rigaku R-AXIS RAPID diffractometer	2581 independent reflections
Radiation source: fine-focus sealed tube	2004 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.042
Detector resolution: 10 pixels mm^-1	θmax = 27.5°, θmin = 3.2°
ω scan	h = −19→20
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −9→9
Tmin = 0.694, Tmax = 0.835	l = −21→24
20059 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.038	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.098	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ^2(Fo^2) + (0.0485P)^2 + 0.8539P] where P = (Fo^2 + 2Fc^2)/3
2581 reflections	(Δ/σ)max < 0.001
147 parameters	Δρmax = 0.34 e Å^−3
2 restraints	Δρmin = −0.21 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Co1	0.2500	0.5000	0.87483 (2)	0.0346 (1)
Cl1	0.35391 (4)	0.75218 (7)	0.87629 (3)	0.0454 (2)
N1	0.1781 (1)	0.6372 (2)	0.95535 (9)	0.0389 (4)
N2	0.1763 (1)	0.6278 (2)	0.79189 (8)	0.0394 (4)
O1	−0.0429 (1)	0.7400 (3)	0.98643 (8)	0.0557 (4)
O2	0.1120 (2)	1.0645 (2)	0.73407 (9)	0.0705 (6)
C1	0.0933 (1)	0.6517 (3)	0.9493 (1)	0.0385 (5)
C2	0.0422 (1)	0.7314 (3)	1.0001 (1)	0.0390 (4)
C3	0.0804 (2)	0.7960 (3)	1.0606 (1)	0.0457 (5)
C4	0.1678 (2)	0.7825 (3)	1.0672 (1)	0.0527 (6)
C5	0.2147 (2)	0.7044 (3)	1.0142 (1)	0.0477 (5)
C6	0.1640 (1)	0.8024 (3)	0.7910 (1)	0.0380 (5)
C7	0.1233 (2)	0.8883 (3)	0.7359 (1)	0.0462 (5)
C8	0.0950 (2)	0.7903 (3)	0.6789 (1)	0.0603 (7)
C9	0.1068 (2)	0.6118 (3)	0.6798 (1)	0.0610 (7)
C10	0.1471 (2)	0.5346 (3)	0.7366 (1)	0.0516 (6)
H1	0.0673	0.6060	0.9090	0.046*
H3	0.0478	0.8477	1.0962	0.055*
H4	0.1950	0.8260	1.1074	0.063*
H5	0.2738	0.6976	1.0190	0.057*
H6	0.1836	0.8686	0.8291	0.046*
H8	0.0682	0.8446	0.6407	0.072*
H9	0.0877	0.5432	0.6422	0.073*
H10	0.1544	0.4131	0.7366	0.062*
H11	−0.070 (2)	0.760 (4)	1.024 (1)	0.084*
H12	0.124 (2)	1.118 (4)	0.772 (1)	0.106*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.0404 (2)	0.0378 (2)	0.0255 (2)	0.0057 (2)	0.000	0.000
Cl1	0.0503 (3)	0.0485 (3)	0.0374 (3)	−0.0049 (2)	−0.0061 (2)	0.0084 (2)
N1	0.043 (1)	0.044 (1)	0.0299 (8)	0.0028 (8)	−0.0005 (8)	−0.0040 (7)
N2	0.051 (1)	0.0377 (9)	0.0299 (8)	0.0033 (8)	−0.0058 (8)	−0.0030 (7)
O1	0.0462 (9)	0.083 (1)	0.0374 (8)	0.0133 (9)	0.0032 (7)	−0.0023 (9)
O2	0.129 (2)	0.0375 (9)	0.0452 (9)	0.013 (1)	−0.028 (1)	−0.0016 (7)
C1	0.046 (1)	0.040 (1)	0.0296 (9)	0.0024 (9)	−0.0026 (9)	−0.0039 (8)
C2	0.045 (1)	0.038 (1)	0.0341 (9)	0.0044 (9)	0.0041 (9)	0.0031 (8)
C3	0.054 (1)	0.047 (1)	0.036 (1)	−0.000 (1)	0.009 (1)	−0.0109 (9)
C4	0.058 (2)	0.063 (2)	0.037 (1)	−0.008 (1)	0.001 (1)	−0.017 (1)
C5	0.045 (1)	0.0581 (1)	0.040 (1)	−0.003 (1)	−0.002 (1)	−0.011 (1)
C6	0.049 (1)	0.037 (1)	0.0281 (9)	0.0007 (9)	−0.0054 (9)	−0.0032 (8)
C7	0.067 (2)	0.037 (1)	0.034 (1)	0.005 (1)	−0.008 (1)	−0.0018 (9)
C8	0.095 (2)	0.046 (1)	0.039 (1)	0.010 (1)	−0.027 (1)	−0.002 (1)
C9	0.095 (2)	0.046 (1)	0.042 (1)	0.004 (1)	−0.029 (1)	−0.010 (1)
C10	0.078 (2)	0.036 (1)	0.041 (1)	0.005 (1)	−0.014 (1)	−0.0041 (9)

Geometric parameters (Å, º)

Co1—Cl1	2.5132 (7)	C1—H1	0.9300
Co1—N1	2.158 (2)	C2—C3	1.377 (3)
Co1—N2	2.172 (2)	C3—C4	1.377 (3)
O1—C2	1.359 (3)	C3—H3	0.9300
Co1—Cl1^i	2.5132 (7)	C4—C5	1.375 (3)
Co1—N1^i	2.158 (2)	C4—H4	0.9300
Co1—N2^i	2.172 (2)	C5—H5	0.9300
N1—C1	1.336 (3)	C6—C7	1.381 (3)
N1—C5	1.349 (3)	C6—H6	0.9300
N2—C6	1.340 (3)	C7—C8	1.381 (3)
N2—C10	1.341 (3)	C8—C9	1.369 (3)
O1—H11	0.85 (3)	C8—H8	0.9300
O2—C7	1.351 (3)	C9—C10	1.373 (3)
O2—H12	0.84 (3)	C9—H9	0.9300
C1—C2	1.386 (3)	C10—H10	0.9300
Cl1—Co1—Cl1^i	178.75 (3)	C1—N1—C5	117.5 (2)
N1^i—Co1—N1	90.62 (9)	C2—O1—H11	110 (2)
N1^i—Co1—N2^i	90.75 (7)	C2—C1—H1	118.3
N1—Co1—N2^i	177.68 (6)	C2—C3—H3	120.7
N1^i—Co1—Cl1	91.32 (5)	C3—C2—C1	118.5 (2)
N1—Co1—Cl1	87.80 (5)	C3—C4—H4	120.1
N2^i—Co1—Cl1	90.29 (5)	C4—C3—C2	118.6 (2)
N2—Co1—Cl1	90.61 (5)	C4—C3—H3	120.7
N2^i—Co1—N2	87.94 (9)	C4—C5—H5	118.9
N1^i—Co1—Cl1^i	87.81 (5)	C5—N1—Co1	122.6 (2)
N1—Co1—Cl1^i	91.32 (5)	C5—C4—C3	119.8 (2)
N1^i—Co1—N2	177.68 (6)	C5—C4—H4	120.1
N1—Co1—N2	90.75 (7)	C6—N2—Co1	121.9 (1)
N1—C5—C4	122.2 (2)	C6—N2—C10	117.6 (2)
N1—C5—H5	118.9	C7—O2—H12	115 (3)
N2^i—Co1—Cl1^i	90.61 (5)	C7—C6—H6	118.5
N2—Co1—Cl1^i	90.29 (5)	C7—C8—H8	120.6
N2—C6—C7	122.9 (2)	C8—C7—C6	118.6 (2)
N2—C6—H6	118.5	C8—C9—C10	119.7 (2)
N2—C10—C9	122.4 (2)	C8—C9—H9	120.2
N2—C10—H10	118.8	C9—C8—C7	118.7 (2)
O1—C2—C1	117.1 (2)	C9—C8—H8	120.6
O1—C2—C3	124.4 (2)	C9—C10—H10	118.8
O2—C7—C6	123.2 (2)	C10—N2—Co1	120.3 (1)
O2—C7—C8	118.2 (2)	C10—C9—H9	120.2
C1—N1—Co1	119.9 (1)
Co1—N1—C1—C2	177.3 (2)	N2—Co1—N1—C1	43.2 (2)
Co1—N1—C5—C4	−176.1 (2)	N2—Co1—N1—C5	−139.6 (2)
Co1—N2—C6—C7	174.6 (2)	N2^i—Co1—N2—C6	−128.5 (2)
Co1—N2—C10—C9	−174.1 (2)	N2^i—Co1—N2—C10	46.2 (2)
Cl1—Co1—N1—C1	133.8 (2)	N2—C6—C7—O2	−178.8 (2)
Cl1^i—Co1—N1—C1	−47.1 (2)	N2—C6—C7—C8	−0.7 (4)
Cl1—Co1—N1—C5	−49.0 (2)	O1—C2—C3—C4	−178.5 (2)
Cl1^i—Co1—N1—C5	130.1 (2)	O2—C7—C8—C9	179.3 (3)
Cl1—Co1—N2—C6	−38.3 (2)	C1—N1—C5—C4	1.2 (3)
Cl1^i—Co1—N2—C6	140.9 (2)	C1—C2—C3—C4	1.6 (3)
Cl1—Co1—N2—C10	136.5 (2)	C2—C3—C4—C5	−0.5 (4)
Cl1^i—Co1—N2—C10	−44.4 (2)	C3—C4—C5—C2	0.3 (2)
N1^i—Co1—N1—C1	−134.9 (2)	C5—N1—C1—C2	0.0 (3)
N1^i—Co1—N1—C5	42.3 (2)	C6—N2—C10—C9	0.9 (4)
N1—Co1—N2—C6	49.6 (2)	C6—C7—C8—C9	1.1 (4)
N1—Co1—N2—C10	−135.7 (2)	C7—C8—C9—C10	−0.6 (5)
N1—C1—C2—O1	178.7 (2)	C8—C9—C10—N2	−0.4 (5)
N1—C1—C2—C3	−1.3 (3)	C10—N2—C6—C7	−0.3 (3)

Symmetry code: (i) −x+1/2, −y+1, z.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H11···Cl1^ii	0.84 (2)	2.23 (2)	3.052 (2)	168 (3)
O2—H12···Cl1^iii	0.84 (2)	2.23 (3)	3.068 (2)	175 (3)

Symmetry codes: (ii) x−1/2, y, −z+2; (iii) −x+1/2, −y+2, z.