Diazido-bis(2,2'-biimidazole)cobalt(II).

In the title compound, [Co(N(3))(2)(C(6)H(6)N(4))(2)], the Co(II) atom lies on a centre of inversion and is bonded to two azide ions and two bidentate 2,2'-biimidizole ligands, giving a slightly distorted octa-hedral CoN(6) coordination geometry. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds exist between the 2,2'-biimidizole ligands and the azide ions, linking the complexes into sheets.

Related literature

For related literature, see: Rees et al. (1983 ▶); Hardman & Lipscomb (1984 ▶); Kuo & Makinen (1982 ▶); Dworschak & Plapp (1977 ▶).

Experimental

Crystal data

[Co(N3)2(C6H6N4)2]

M = 411.29

Monoclinic,

a = 12.8085 (10) Å

b = 8.7632 (5) Å

c = 14.4793 (5) Å

β = 91.913 (1)°

V = 1624.30 (17) Å3

Z = 4

Mo Kα radiation

μ = 1.09 mm−1

T = 293 (2) K

0.28 × 0.22 × 0.20 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.750, T max = 0.811

1961 measured reflections

1501 independent reflections

1246 reflections with I > 2σ(I)

R int = 0.022

Refinement

R[F 2 > 2σ(F 2)] = 0.029

wR(F 2) = 0.078

S = 1.00

1501 reflections

124 parameters

H-atom parameters constrained

Δρmax = 0.24 e Å−3

Δρmin = −0.21 e Å−3

Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT-Plus (Bruker, 2001 ▶); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 ▶); molecular graphics: SHELXTL (Bruker, 2001 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536807062873/bi2265sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807062873/bi2265Isup2.hkl

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

[Co(N3)2(C6H6N4)2]	F000 = 836
Mr = 411.29	Dx = 1.682 Mg m−3
Monoclinic, C2/c	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 1501 reflections
a = 12.8085 (10) Å	θ = 2.8–25.5º
b = 8.7632 (5) Å	µ = 1.09 mm−1
c = 14.4793 (5) Å	T = 293 (2) K
β = 91.913 (1)º	Block, red
V = 1624.30 (17) Å3	0.28 × 0.22 × 0.20 mm
Z = 4

Bruker APEXII CCD diffractometer	1501 independent reflections
Radiation source: fine-focus sealed tube	1246 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.022
T = 293(2) K	θmax = 25.5º
φ and ω scans	θmin = 2.8º
Absorption correction: multi-scan(SADABS; Bruker, 2001)	h = −1→15
Tmin = 0.750, Tmax = 0.811	k = −1→10
1961 measured reflections	l = −17→17

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)] = 0.029	H-atom parameters constrained
wR(F2) = 0.078	w = 1/[σ2(Fo2) + (0.032P)2 + 0.7528P] where P = (Fo2 + 2Fc2)/3
S = 1.00	(Δ/σ)max = 0.016
1501 reflections	Δρmax = 0.24 e Å−3
124 parameters	Δρmin = −0.20 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	0.2500	−0.2500	0.5000	0.04053 (15)
C1	0.08433 (18)	−0.0620 (3)	0.36274 (15)	0.0523 (6)
H1	0.0724	−0.1298	0.3141	0.063*
C2	0.03681 (18)	0.0756 (3)	0.37190 (15)	0.0528 (6)
H2	−0.0126	0.1194	0.3315	0.063*
C3	0.14622 (17)	0.0371 (2)	0.48932 (14)	0.0433 (5)
C4	0.21008 (17)	0.0440 (2)	0.57427 (14)	0.0437 (5)
C5	0.32254 (19)	−0.0319 (3)	0.67815 (16)	0.0535 (6)
H5	0.3710	−0.0924	0.7103	0.064*
C6	0.29414 (19)	0.1097 (3)	0.70284 (16)	0.0556 (6)
H6	0.3182	0.1644	0.7543	0.067*
N1	0.15295 (14)	−0.0854 (2)	0.43678 (12)	0.0463 (4)
N2	0.26893 (14)	−0.0737 (2)	0.59794 (12)	0.0475 (4)
N3	0.38297 (15)	−0.1637 (2)	0.42685 (13)	0.0521 (5)
N4	0.39621 (15)	−0.0323 (2)	0.42133 (13)	0.0507 (5)
N5	0.41050 (18)	0.0987 (2)	0.41471 (16)	0.0668 (6)
N6	0.22221 (15)	0.1566 (2)	0.63634 (12)	0.0506 (5)
H6A	0.1905	0.2432	0.6348	0.061*
N7	0.07654 (14)	0.1364 (2)	0.45280 (12)	0.0484 (4)
H7A	0.0598	0.2230	0.4761	0.058*

	U11	U22	U33	U12	U13	U23
Co1	0.0437 (2)	0.0363 (2)	0.0409 (2)	0.01142 (17)	−0.00752 (16)	−0.00494 (16)
C1	0.0524 (13)	0.0580 (14)	0.0459 (12)	0.0139 (11)	−0.0072 (10)	−0.0039 (10)
C2	0.0522 (13)	0.0585 (15)	0.0473 (12)	0.0164 (11)	−0.0055 (10)	0.0043 (11)
C3	0.0431 (11)	0.0417 (12)	0.0452 (11)	0.0082 (9)	0.0015 (9)	0.0009 (9)
C4	0.0455 (11)	0.0400 (11)	0.0456 (11)	0.0047 (10)	0.0022 (9)	−0.0028 (9)
C5	0.0556 (13)	0.0536 (14)	0.0503 (12)	0.0048 (11)	−0.0100 (10)	−0.0019 (11)
C6	0.0618 (14)	0.0551 (15)	0.0491 (12)	−0.0004 (12)	−0.0088 (11)	−0.0091 (11)
N1	0.0474 (10)	0.0460 (11)	0.0450 (9)	0.0112 (9)	−0.0048 (8)	−0.0042 (8)
N2	0.0507 (10)	0.0442 (10)	0.0472 (10)	0.0078 (9)	−0.0065 (8)	−0.0044 (8)
N3	0.0554 (11)	0.0401 (11)	0.0605 (11)	0.0096 (9)	−0.0019 (9)	−0.0036 (9)
N4	0.0488 (11)	0.0505 (13)	0.0522 (11)	0.0128 (9)	−0.0073 (9)	−0.0070 (9)
N5	0.0717 (14)	0.0417 (12)	0.0860 (15)	0.0073 (11)	−0.0101 (12)	−0.0065 (11)
N6	0.0588 (11)	0.0415 (11)	0.0514 (10)	0.0074 (9)	−0.0008 (9)	−0.0070 (8)
N7	0.0531 (11)	0.0425 (10)	0.0497 (10)	0.0148 (9)	0.0018 (8)	0.0005 (8)

Co1—N1	2.0945 (17)	C3—C4	1.455 (3)
Co1—N1i	2.0945 (17)	C4—N2	1.316 (3)
Co1—N2i	2.1055 (18)	C4—N6	1.341 (3)
Co1—N2	2.1055 (18)	C5—C6	1.344 (3)
Co1—N3	2.172 (2)	C5—N2	1.379 (3)
Co1—N3i	2.172 (2)	C5—H5	0.930
C1—C2	1.359 (3)	C6—N6	1.373 (3)
C1—N1	1.379 (3)	C6—H6	0.930
C1—H1	0.930	N3—N4	1.167 (3)
C2—N7	1.370 (3)	N4—N5	1.167 (3)
C2—H2	0.930	N6—H6A	0.860
C3—N1	1.320 (3)	N7—H7A	0.860
C3—N7	1.343 (3)
N1—Co1—N1i	180.00 (8)	N2—C4—N6	110.49 (19)
N1—Co1—N2i	99.06 (7)	N2—C4—C3	119.23 (19)
N1i—Co1—N2i	80.94 (7)	N6—C4—C3	130.3 (2)
N1—Co1—N2	80.94 (7)	C6—C5—N2	109.7 (2)
N1i—Co1—N2	99.06 (7)	C6—C5—H5	125.1
N2i—Co1—N2	180.0	N2—C5—H5	125.1
N1—Co1—N3	90.61 (7)	C5—C6—N6	105.7 (2)
N1i—Co1—N3	89.39 (7)	C5—C6—H6	127.1
N2i—Co1—N3	90.10 (7)	N6—C6—H6	127.1
N2—Co1—N3	89.90 (7)	C3—N1—C1	105.96 (18)
N1—Co1—N3i	89.39 (7)	C3—N1—Co1	110.93 (13)
N1i—Co1—N3i	90.61 (7)	C1—N1—Co1	142.74 (16)
N2i—Co1—N3i	89.90 (7)	C4—N2—C5	106.00 (19)
N2—Co1—N3i	90.10 (7)	C4—N2—Co1	110.33 (14)
N3—Co1—N3i	180.00 (6)	C5—N2—Co1	143.64 (16)
C2—C1—N1	109.4 (2)	N4—N3—Co1	119.70 (17)
C2—C1—H1	125.3	N5—N4—N3	179.0 (3)
N1—C1—H1	125.3	C4—N6—C6	108.01 (19)
C1—C2—N7	105.91 (19)	C4—N6—H6A	126.0
C1—C2—H2	127.0	C6—N6—H6A	126.0
N7—C2—H2	127.0	C3—N7—C2	107.90 (18)
N1—C3—N7	110.83 (19)	C3—N7—H7A	126.0
N1—C3—C4	118.37 (18)	C2—N7—H7A	126.1
N7—C3—C4	130.8 (2)

D—H···A	D—H	H···A	D···A	D—H···A
N6—H6A···N5ii	0.86	2.01	2.819 (3)	156
N7—H7A···N5ii	0.86	2.25	3.012 (3)	148
N7—H7A···N3iii	0.86	2.55	3.049 (3)	118

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N6—H6A⋯N5i	0.86	2.01	2.819 (3)	156
N7—H7A⋯N5i	0.86	2.25	3.012 (3)	148
N7—H7A⋯N3ii	0.86	2.55	3.049 (3)	118

Symmetry codes: (i) ; (ii) .