Tetra-kis(2-amino-pyrazine-κN)dichlorido-cobalt(II).

The Co(II) atom in the title complex, [CoCl(2)(C(4)H(5)N(3))(4)], exists in an all-trans Cl(2)N(4)Co octa-hedral geometry. The Co(II) atom lies on a special position of 2 site symmetry. Adjacent mol-ecules are linked by N-H⋯N and N-H⋯Cl hydrogen bonds into a three-dimensional network.

Related literature

For the triclinic modification, see: Csöregh et al. (2000 ▶).

Experimental

Crystal data

[CoCl2(C4H5N3)4]

M = 510.27

Orthorhombic,

a = 7.6347 (2) Å

b = 15.7341 (4) Å

c = 18.6074 (4) Å

V = 2235.22 (9) Å3

Z = 4

Mo Kα radiation

μ = 1.04 mm−1

T = 293 K

0.30 × 0.20 × 0.15 mm

Data collection

Rigaku R-AXIS RAPID IP diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.746, T max = 0.860

20053 measured reflections

2553 independent reflections

2234 reflections with I > 2σ(I)

R int = 0.024

Refinement

R[F 2 > 2σ(F 2)] = 0.025

wR(F 2) = 0.074

S = 1.06

2553 reflections

157 parameters

4 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.29 e Å−3

Δρmin = −0.25 e Å−3

Data collection: RAPID-AUTO (Rigaku, 1998 ▶); cell refinement: RAPID-AUTO; data reduction: CrystalClear (Rigaku/MSC, 2002 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: X-SEED (Barbour, 2001 ▶); software used to prepare material for publication: publCIF (Westrip, 2009 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809045309/xu2656sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809045309/xu2656Isup2.hkl

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

[CoCl2(C4H5N3)4]	F(000) = 1044
Mr = 510.27	Dx = 1.516 Mg m−3
Orthorhombic, Pccn	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ab 2ac	Cell parameters from 15790 reflections
a = 7.6347 (2) Å	θ = 2.3–27.5°
b = 15.7341 (4) Å	µ = 1.04 mm−1
c = 18.6074 (4) Å	T = 293 K
V = 2235.22 (9) Å3	Block, red
Z = 4	0.30 × 0.20 × 0.15 mm

Rigaku RAXIS-RAPID IP diffractometer	2553 independent reflections
Radiation source: fine-focus sealed tube	2234 reflections with I > 2σ(I)
graphite	Rint = 0.024
ω scans	θmax = 27.5°, θmin = 3.2°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −9→9
Tmin = 0.746, Tmax = 0.860	k = −20→20
20053 measured reflections	l = −24→24

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)] = 0.025	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.074	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	w = 1/[σ2(Fo2) + (0.0439P)2 + 0.4514P] where P = (Fo2 + 2Fc2)/3
2553 reflections	(Δ/σ)max = 0.001
157 parameters	Δρmax = 0.28 e Å−3
4 restraints	Δρmin = −0.25 e Å−3

	x	y	z	Uiso*/Ueq
Co1	0.7500	0.2500	0.103443 (12)	0.02794 (9)
Cl1	0.98632 (5)	0.14744 (2)	0.103952 (17)	0.03970 (11)
N1	0.61989 (16)	0.17473 (8)	0.01880 (6)	0.0348 (3)
N2	0.46194 (19)	0.08976 (11)	−0.09614 (7)	0.0553 (4)
N3	0.1968 (2)	0.09877 (14)	−0.03954 (8)	0.0686 (5)
N4	0.88907 (16)	0.31841 (7)	0.18890 (6)	0.0339 (3)
N5	1.03169 (17)	0.40550 (8)	0.30631 (6)	0.0387 (3)
N6	0.9535 (2)	0.53209 (8)	0.25231 (7)	0.0527 (4)
C1	0.45050 (19)	0.15892 (9)	0.01846 (7)	0.0357 (3)
H1A	0.3823	0.1771	0.0569	0.043*
C2	0.3693 (2)	0.11475 (10)	−0.03920 (7)	0.0413 (3)
C3	0.6338 (2)	0.10573 (14)	−0.09351 (9)	0.0625 (6)
H3A	0.7027	0.0878	−0.1318	0.075*
C4	0.7141 (2)	0.14683 (13)	−0.03790 (9)	0.0509 (4)
H4A	0.8345	0.1557	−0.0391	0.061*
C5	0.88843 (19)	0.40188 (8)	0.19189 (6)	0.0319 (3)
H5	0.8395	0.4324	0.1541	0.038*
C6	0.96002 (18)	0.44673 (8)	0.25094 (7)	0.0325 (3)
C7	1.0327 (2)	0.32043 (10)	0.30155 (8)	0.0453 (4)
H7	1.0823	0.2896	0.3390	0.054*
C8	0.9645 (2)	0.27664 (10)	0.24459 (8)	0.0452 (4)
H8	0.9700	0.2176	0.2440	0.054*
H1	0.136 (3)	0.1094 (14)	−0.0022 (8)	0.078 (7)*
H2	0.155 (3)	0.0704 (11)	−0.0753 (8)	0.063 (6)*
H3	0.978 (3)	0.5580 (12)	0.2913 (7)	0.060 (6)*
H4	0.909 (2)	0.5583 (11)	0.2164 (8)	0.061 (6)*

	U11	U22	U33	U12	U13	U23
Co1	0.03367 (16)	0.02901 (14)	0.02114 (14)	−0.00229 (9)	0.000	0.000
Cl1	0.0462 (2)	0.0432 (2)	0.02968 (18)	0.01013 (15)	0.00662 (13)	0.00476 (12)
N1	0.0337 (6)	0.0435 (6)	0.0271 (5)	−0.0030 (5)	0.0015 (5)	−0.0079 (5)
N2	0.0407 (8)	0.0851 (11)	0.0401 (7)	−0.0055 (7)	0.0052 (6)	−0.0322 (7)
N3	0.0366 (8)	0.1287 (16)	0.0407 (8)	−0.0134 (9)	0.0027 (6)	−0.0368 (9)
N4	0.0428 (7)	0.0326 (5)	0.0262 (5)	−0.0011 (5)	−0.0058 (5)	0.0003 (4)
N5	0.0447 (7)	0.0433 (6)	0.0281 (5)	−0.0005 (5)	−0.0095 (5)	−0.0004 (5)
N6	0.0912 (12)	0.0339 (6)	0.0331 (6)	−0.0092 (7)	−0.0211 (7)	0.0002 (5)
C1	0.0359 (7)	0.0464 (7)	0.0248 (6)	0.0013 (6)	0.0028 (5)	−0.0084 (6)
C2	0.0352 (8)	0.0588 (9)	0.0300 (6)	−0.0012 (7)	0.0005 (6)	−0.0124 (6)
C3	0.0416 (9)	0.1031 (16)	0.0429 (9)	−0.0042 (10)	0.0106 (7)	−0.0368 (9)
C4	0.0340 (8)	0.0789 (12)	0.0398 (8)	−0.0060 (7)	0.0075 (6)	−0.0206 (8)
C5	0.0399 (7)	0.0323 (6)	0.0236 (6)	−0.0039 (5)	−0.0055 (5)	0.0036 (5)
C6	0.0376 (7)	0.0349 (6)	0.0251 (6)	−0.0057 (5)	−0.0034 (5)	0.0008 (5)
C7	0.0582 (10)	0.0450 (8)	0.0326 (7)	0.0103 (7)	−0.0151 (7)	0.0028 (6)
C8	0.0650 (11)	0.0335 (7)	0.0371 (7)	0.0090 (7)	−0.0136 (7)	0.0015 (6)

Co1—N1i	2.2068 (11)	N5—C6	1.3348 (18)
Co1—N1	2.2068 (11)	N5—C7	1.341 (2)
Co1—N4	2.1941 (11)	N6—C6	1.3441 (18)
Co1—N4i	2.1941 (11)	N6—H3	0.852 (9)
Co1—Cl1i	2.4206 (4)	N6—H4	0.856 (9)
Co1—Cl1	2.4206 (4)	C1—C2	1.4207 (19)
N1—C1	1.3170 (19)	C1—H1A	0.9300
N1—C4	1.3501 (19)	C3—C4	1.366 (2)
N2—C2	1.3332 (19)	C3—H3A	0.9300
N2—C3	1.337 (2)	C4—H4A	0.9300
N3—C2	1.341 (2)	C5—C6	1.4157 (18)
N3—H1	0.853 (9)	C5—H5	0.9300
N3—H2	0.864 (9)	C7—C8	1.367 (2)
N4—C5	1.3145 (17)	C7—H7	0.9300
N4—C8	1.3556 (18)	C8—H8	0.9300
N4—Co1—N4i	87.12 (6)	C6—N6—H4	118.8 (14)
N4—Co1—N1i	92.07 (4)	H3—N6—H4	121 (2)
N4i—Co1—N1i	176.67 (4)	N1—C1—C2	121.63 (13)
N4—Co1—N1	176.67 (4)	N1—C1—H1A	119.2
N4i—Co1—N1	92.07 (4)	C2—C1—H1A	119.2
N1i—Co1—N1	88.93 (6)	N2—C2—N3	117.51 (14)
N4—Co1—Cl1i	91.77 (3)	N2—C2—C1	120.88 (15)
N4i—Co1—Cl1i	87.91 (3)	N3—C2—C1	121.59 (13)
N1i—Co1—Cl1i	88.89 (3)	N2—C3—C4	123.88 (15)
N1—Co1—Cl1i	91.43 (3)	N2—C3—H3A	118.1
N4—Co1—Cl1	87.91 (3)	C4—C3—H3A	118.1
N4i—Co1—Cl1	91.77 (3)	N1—C4—C3	120.47 (15)
N1i—Co1—Cl1	91.43 (3)	N1—C4—H4A	119.8
N1—Co1—Cl1	88.89 (3)	C3—C4—H4A	119.8
Cl1i—Co1—Cl1	179.552 (18)	N4—C5—C6	121.97 (12)
C1—N1—C4	117.25 (12)	N4—C5—H5	119.0
C1—N1—Co1	123.15 (9)	C6—C5—H5	119.0
C4—N1—Co1	119.50 (10)	N5—C6—N6	119.10 (12)
C2—N2—C3	115.85 (13)	N5—C6—C5	121.00 (12)
C2—N3—H1	119.6 (16)	N6—C6—C5	119.89 (12)
C2—N3—H2	117.9 (14)	N5—C7—C8	123.50 (13)
H1—N3—H2	122 (2)	N5—C7—H7	118.2
C5—N4—C8	116.97 (12)	C8—C7—H7	118.2
C5—N4—Co1	121.27 (9)	N4—C8—C7	120.67 (14)
C8—N4—Co1	121.45 (10)	N4—C8—H8	119.7
C6—N5—C7	115.87 (12)	C7—C8—H8	119.7
C6—N6—H3	119.0 (14)
N4i—Co1—N1—C1	45.73 (12)	C3—N2—C2—N3	−179.1 (2)
N1i—Co1—N1—C1	−131.09 (13)	C3—N2—C2—C1	2.7 (3)
Cl1i—Co1—N1—C1	−42.23 (11)	N1—C1—C2—N2	−1.9 (2)
Cl1—Co1—N1—C1	137.45 (11)	N1—C1—C2—N3	−179.93 (17)
N4i—Co1—N1—C4	−138.03 (13)	C2—N2—C3—C4	−1.6 (3)
N1i—Co1—N1—C4	45.15 (12)	C1—N1—C4—C3	1.4 (3)
Cl1i—Co1—N1—C4	134.01 (13)	Co1—N1—C4—C3	−175.03 (16)
Cl1—Co1—N1—C4	−46.30 (13)	N2—C3—C4—N1	−0.5 (4)
N4i—Co1—N4—C5	−124.52 (13)	C8—N4—C5—C6	−1.1 (2)
N1i—Co1—N4—C5	52.25 (11)	Co1—N4—C5—C6	172.58 (10)
Cl1i—Co1—N4—C5	−36.70 (11)	C7—N5—C6—N6	179.54 (15)
Cl1—Co1—N4—C5	143.61 (11)	C7—N5—C6—C5	0.7 (2)
N4i—Co1—N4—C8	48.91 (11)	N4—C5—C6—N5	0.1 (2)
N1i—Co1—N4—C8	−134.32 (13)	N4—C5—C6—N6	−178.74 (15)
Cl1i—Co1—N4—C8	136.73 (12)	C6—N5—C7—C8	−0.5 (3)
Cl1—Co1—N4—C8	−42.96 (12)	C5—N4—C8—C7	1.4 (2)
C4—N1—C1—C2	−0.3 (2)	Co1—N4—C8—C7	−172.29 (13)
Co1—N1—C1—C2	176.01 (11)	N5—C7—C8—N4	−0.6 (3)

D—H···A	D—H	H···A	D···A	D—H···A
N3—H1···Cl1ii	0.85 (1)	2.36 (1)	3.209 (2)	175 (2)
N3—H2···N5iii	0.86 (1)	2.43 (2)	3.134 (2)	140 (2)
N6—H3···Cl1iv	0.85 (1)	2.42 (1)	3.265 (1)	171 (2)
N6—H4···N2v	0.86 (1)	2.33 (2)	3.045 (2)	142 (2)

Table 1

Selected bond lengths (Å)

Co1—N1	2.2068 (11)
Co1—N4	2.1941 (11)
Co1—Cl1	2.4206 (4)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N3—H1⋯Cl1i	0.85 (1)	2.36 (1)	3.209 (2)	175 (2)
N3—H2⋯N5ii	0.86 (1)	2.43 (2)	3.134 (2)	140 (2)
N6—H3⋯Cl1iii	0.85 (1)	2.42 (1)	3.265 (1)	171 (2)
N6—H4⋯N2iv	0.86 (1)	2.33 (2)	3.045 (2)	142 (2)

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .