Bis(μ-3,5-dimethyl-1,2,4-triazol-4-amine-κN:N)bis-[dichlorido-cobalt(II)].

In the centrosymmetric dinuclear compound, [Co(2)Cl(4)(C(4)H(8)N(4))(2)], the Co(II) atom is coordinated by N atoms from two 3,5-dimethyl-1,2,4-triazol-4-amine ligands and two Cl atoms in a distorted tetra-hedral geometry. A six-membered ring is formed by four N atoms from two ligands and the two Co(II) centers; the Co⋯Co distance is 3.756 (9) Å.

Related literature

For related compounds, see: Cheng et al. (2007 ▶); Lavrenova et al. (1992 ▶); Liu et al. (2003 ▶); Nockemann & Meyer (2007 ▶).

Experimental

Crystal data

[Co2Cl4(C4H8N4)2]

M = 483.95

Monoclinic,

a = 6.7412 (10) Å

b = 12.2094 (16) Å

c = 11.4423 (14) Å

β = 97.8270 (10)°

V = 933.0 (2) Å3

Z = 2

Mo Kα radiation

μ = 2.36 mm−1

T = 298 K

0.34 × 0.33 × 0.17 mm

Data collection

Siemens SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.46, T max = 0.67

4733 measured reflections

1638 independent reflections

1304 reflections with I > 2σ(I)

R int = 0.023

Refinement

R[F 2 > 2σ(F 2)] = 0.032

wR(F 2) = 0.085

S = 1.07

1638 reflections

102 parameters

H-atom parameters constrained

Δρmax = 0.43 e Å−3

Δρmin = −0.58 e Å−3

Data collection: SMART (Siemens, 1996 ▶); cell refinement: SAINT (Siemens, 1996 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 20008); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809021916/ng2584sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809021916/ng2584Isup2.hkl

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

[Co2Cl4(C4H8N4)2]	F(000) = 484
Mr = 483.95	Dx = 1.723 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 4733 reflections
a = 6.7412 (10) Å	θ = 2.5–25.0°
b = 12.2094 (16) Å	µ = 2.36 mm−1
c = 11.4423 (14) Å	T = 298 K
β = 97.827 (1)°	Block, blue
V = 933.0 (2) Å3	0.34 × 0.33 × 0.17 mm
Z = 2

Siemens CCD area-detector diffractometer	1638 independent reflections
Radiation source: fine-focus sealed tube	1304 reflections with I > 2σ(I)
graphite	Rint = 0.023
φ and ω scans	θmax = 25.0°, θmin = 2.5°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −7→7
Tmin = 0.46, Tmax = 0.67	k = −14→14
4733 measured reflections	l = −13→8

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)] = 0.032	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.085	H-atom parameters constrained
S = 1.07	w = 1/[σ2(Fo2) + (0.0358P)2 + 1.1376P] where P = (Fo2 + 2Fc2)/3
1638 reflections	(Δ/σ)max = 0.001
102 parameters	Δρmax = 0.43 e Å−3
0 restraints	Δρmin = −0.58 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
Co1	0.59569 (7)	0.10736 (4)	0.40423 (4)	0.03186 (17)
Cl1	0.84618 (15)	0.10010 (9)	0.29461 (10)	0.0545 (3)
Cl2	0.44352 (17)	0.26855 (9)	0.39618 (12)	0.0652 (3)
N1	0.7034 (4)	0.0747 (2)	0.5750 (2)	0.0360 (7)
N2	0.6098 (4)	0.0089 (2)	0.6507 (2)	0.0345 (7)
N3	0.8558 (4)	0.0937 (2)	0.7526 (2)	0.0341 (7)
N4	0.9948 (5)	0.1233 (3)	0.8494 (3)	0.0505 (9)
H4A	0.9879	0.0948	0.9174	0.061*
H4B	1.0872	0.1700	0.8409	0.061*
C1	0.7059 (5)	0.0212 (3)	0.7575 (3)	0.0328 (8)
C2	0.8540 (5)	0.1240 (3)	0.6382 (3)	0.0365 (8)
C3	0.6643 (6)	−0.0339 (3)	0.8663 (3)	0.0476 (10)
H3A	0.6222	0.0194	0.9195	0.071*
H3B	0.7834	−0.0698	0.9030	0.071*
H3C	0.5602	−0.0871	0.8471	0.071*
C4	1.0012 (7)	0.1982 (4)	0.5962 (4)	0.0576 (12)
H4C	1.0375	0.1709	0.5233	0.086*
H4D	1.1183	0.2022	0.6541	0.086*
H4E	0.9437	0.2699	0.5837	0.086*

	U11	U22	U33	U12	U13	U23
Co1	0.0308 (3)	0.0312 (3)	0.0334 (3)	−0.00153 (19)	0.00350 (19)	0.0033 (2)
Cl1	0.0476 (6)	0.0600 (6)	0.0604 (6)	−0.0015 (5)	0.0239 (5)	−0.0066 (5)
Cl2	0.0540 (7)	0.0417 (6)	0.0976 (9)	0.0137 (5)	0.0018 (6)	0.0003 (6)
N1	0.0369 (17)	0.0385 (16)	0.0317 (16)	−0.0077 (13)	0.0015 (13)	0.0046 (13)
N2	0.0335 (16)	0.0330 (15)	0.0364 (16)	−0.0055 (12)	0.0026 (13)	0.0025 (13)
N3	0.0354 (16)	0.0355 (16)	0.0301 (15)	−0.0018 (13)	−0.0004 (12)	−0.0044 (12)
N4	0.051 (2)	0.067 (2)	0.0298 (16)	−0.0194 (17)	−0.0085 (14)	−0.0041 (15)
C1	0.0337 (19)	0.0314 (18)	0.0329 (19)	0.0008 (15)	0.0026 (14)	−0.0022 (14)
C2	0.0371 (19)	0.0365 (19)	0.0353 (19)	−0.0045 (15)	0.0030 (15)	0.0000 (15)
C3	0.058 (3)	0.049 (2)	0.036 (2)	−0.0039 (19)	0.0052 (18)	0.0071 (17)
C4	0.061 (3)	0.067 (3)	0.045 (2)	−0.029 (2)	0.007 (2)	0.000 (2)

Co1—N2i	2.023 (3)	N4—H4A	0.8600
Co1—N1	2.030 (3)	N4—H4B	0.8600
Co1—Cl2	2.2154 (11)	C1—C3	1.475 (5)
Co1—Cl1	2.2382 (11)	C2—C4	1.472 (5)
N1—C2	1.310 (4)	C3—H3A	0.9600
N1—N2	1.394 (4)	C3—H3B	0.9600
N2—C1	1.312 (4)	C3—H3C	0.9600
N2—Co1i	2.023 (3)	C4—H4C	0.9600
N3—C1	1.350 (4)	C4—H4D	0.9600
N3—C2	1.358 (4)	C4—H4E	0.9600
N3—N4	1.397 (4)
N2i—Co1—N1	107.55 (11)	N2—C1—N3	108.3 (3)
N2i—Co1—Cl2	108.46 (9)	N2—C1—C3	127.4 (3)
N1—Co1—Cl2	108.50 (9)	N3—C1—C3	124.3 (3)
N2i—Co1—Cl1	109.60 (9)	N1—C2—N3	108.1 (3)
N1—Co1—Cl1	109.49 (9)	N1—C2—C4	127.5 (3)
Cl2—Co1—Cl1	113.10 (5)	N3—C2—C4	124.4 (3)
C2—N1—N2	107.7 (3)	C1—C3—H3A	109.5
C2—N1—Co1	126.2 (2)	C1—C3—H3B	109.5
N2—N1—Co1	125.3 (2)	H3A—C3—H3B	109.5
C1—N2—N1	107.7 (3)	C1—C3—H3C	109.5
C1—N2—Co1i	126.9 (2)	H3A—C3—H3C	109.5
N1—N2—Co1i	124.1 (2)	H3B—C3—H3C	109.5
C1—N3—C2	108.1 (3)	C2—C4—H4C	109.5
C1—N3—N4	124.1 (3)	C2—C4—H4D	109.5
C2—N3—N4	127.6 (3)	H4C—C4—H4D	109.5
N3—N4—H4A	120.0	C2—C4—H4E	109.5
N3—N4—H4B	120.0	H4C—C4—H4E	109.5
H4A—N4—H4B	120.0	H4D—C4—H4E	109.5

Co1—N2i	2.023 (3)
Co1—N1	2.030 (3)
Co1—Cl2	2.2154 (11)
Co1—Cl1	2.2382 (11)

N2i—Co1—N1	107.55 (11)
N2i—Co1—Cl2	108.46 (9)
N1—Co1—Cl2	108.50 (9)
N2i—Co1—Cl1	109.60 (9)
N1—Co1—Cl1	109.49 (9)
Cl2—Co1—Cl1	113.10 (5)

Symmetry code: (i) .