Bis­(acetato-O)­tetrakis­(imidazole-N³)­nickel(II)

In the title compound, [Ni(C₂H₃O)₂(C₃H₄N₂)₄], the Ni atom is coordinated centrosymmetrically by four N and two O atoms in an octahedral coordination [Ni-N = 1.986 (3) and 2.054 (3) Å; Ni-O = 2.697 (3) Å]. The O atoms of the acetate anions form hydrogen bonds to adjacent imidazole moieties, with the free O atom forming a somewhat shorter bond [N...O = 2.679 (3) and 2.870 (4) Å]. The hydrogen bonds give rise to a two-dimensional layer structure.

Computing details

Data collection: XDS (Kabsch, 1988); cell refinement: XDS; data reduction: XDS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); software used to prepare material for publication: SHELXL97.

Tetrakis(imidazole-N³)nickel(II) diacetate

Crystal data

[Ni(C2H3O2)2(C3H4N2)4]	F(000) = 936
Mr = 449.13	Dx = 1.491 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 13.46 (2) Å	Cell parameters from 3146 reflections
b = 8.62 (1) Å	θ = 2.4–26.0°
c = 17.89 (2) Å	µ = 1.01 mm^−1
β = 105.28 (1)°	T = 298 K
V = 2001 (4) Å^3	Parallelepiped, pale blue
Z = 4	0.25 × 0.25 × 0.20 mm

Data collection

MarResearch Image Plate diffractometer	1540 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.027
Graphite monochromator	θmax = 26.0°, θmin = 2.4°
95 frames at 2° intervals, counting time 2 min. scans	h = 0→16
3146 measured reflections	k = −10→10
1842 independent reflections	l = −21→21

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.036	H-atom parameters constrained
wR(F^2) = 0.105	w = 1/[σ^2(Fo^2) + (0.0629P)^2 + 1.9165P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max < 0.001
1842 reflections	Δρmax = 0.52 e Å^−3
135 parameters	Δρmin = −0.34 e Å^−3
0 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.009 (1)

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

	x	y	z	Uiso*/Ueq
Ni1	0.0000	0.0000	0.5000	0.0317 (2)
O1	−0.1956 (2)	0.0949 (2)	0.4389 (1)	0.0444 (5)
O2	−0.2666 (2)	0.1044 (2)	0.3132 (1)	0.0512 (5)
N1	0.0208 (2)	0.1550 (2)	0.5849 (1)	0.0323 (5)
N2	0.0932 (2)	0.2931 (3)	0.6872 (1)	0.0381 (5)
N3	0.0645 (2)	0.1525 (3)	0.4380 (1)	0.0354 (5)
N4	0.1631 (2)	0.3388 (3)	0.4127 (1)	0.0420 (5)
C1	0.1007 (2)	0.1668 (3)	0.6467 (1)	0.0335 (5)
C2	0.0046 (2)	0.3669 (3)	0.6504 (2)	0.0452 (7)
C3	−0.0403 (2)	0.2817 (3)	0.5874 (1)	0.0402 (6)
C4	0.1204 (2)	0.2773 (3)	0.4648 (2)	0.0383 (6)
C5	0.1328 (2)	0.2513 (4)	0.3476 (2)	0.0546 (8)
C6	0.0731 (2)	0.1372 (4)	0.3636 (2)	0.0525 (8)
C7	−0.2234 (2)	0.1686 (3)	0.3765 (1)	0.0348 (5)
C8	−0.2038 (3)	0.3406 (4)	0.3775 (2)	0.0659 (9)
H2	0.1366	0.3229	0.7292	0.046*
H4	0.2025	0.4189	0.4190	0.050*
H1	0.1546	0.0960	0.6598	0.040*
H2a	−0.0203	0.4589	0.6658	0.054*
H3	−0.1024	0.3047	0.5516	0.048*
H4a	0.1287	0.3171	0.5144	0.046*
H5	0.1499	0.2670	0.3010	0.066*
H6	0.0422	0.0595	0.3292	0.063*
H8a	−0.2368	0.3900	0.4127	0.099*
H8b	−0.2310	0.3820	0.3263	0.099*
H8c	−0.1310	0.3597	0.3941	0.099*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ni1	0.0451 (3)	0.0280 (3)	0.0225 (3)	−0.0122 (2)	0.0097 (2)	−0.0057 (2)
O1	0.057 (1)	0.040 (1)	0.032 (1)	0.001 (1)	0.005 (1)	0.006 (1)
O2	0.056 (1)	0.046 (1)	0.039 (1)	0.014 (1)	−0.009 (1)	0.003 (1)
N1	0.034 (1)	0.034 (1)	0.028 (1)	−0.004 (1)	0.006 (1)	−0.003 (1)
N2	0.038 (1)	0.039 (1)	0.032 (1)	0.001 (1)	−0.002 (1)	−0.010 (1)
N3	0.037 (1)	0.036 (1)	0.031 (1)	−0.004 (1)	0.006 (1)	0.002 (1)
N4	0.037 (1)	0.037 (1)	0.051 (1)	−0.003 (1)	0.011 (1)	0.010 (1)
C1	0.034 (1)	0.034 (1)	0.030 (1)	0.002 (1)	0.005 (1)	−0.005 (1)
C2	0.048 (2)	0.046 (2)	0.038 (1)	0.014 (1)	0.004 (1)	−0.010 (1)
C3	0.033 (1)	0.048 (2)	0.035 (1)	0.007 (1)	0.001 (1)	−0.004 (1)
C4	0.039 (1)	0.034 (1)	0.041 (1)	−0.004 (1)	0.009 (1)	0.004 (1)
C5	0.062 (2)	0.060 (2)	0.046 (2)	−0.009 (2)	0.021 (1)	0.012 (2)
C6	0.065 (2)	0.057 (2)	0.037 (2)	−0.020 (2)	0.018 (1)	−0.003 (1)
C7	0.031 (1)	0.035 (1)	0.037 (1)	0.004 (1)	0.006 (1)	0.003 (1)
C8	0.083 (3)	0.038 (2)	0.067 (2)	−0.010 (2)	0.004 (2)	0.010 (2)

Geometric parameters (Å, º)

Ni1—N1	1.986 (3)	N4—C5	1.356 (4)
Ni1—N1^i	1.986 (3)	C2—C3	1.348 (4)
Ni1—N3	2.054 (3)	C5—C6	1.347 (4)
Ni1—N3^i	2.054 (3)	C7—C8	1.505 (4)
Ni1—O1	2.697 (3)	N2—H2	0.8600
Ni1—O1^i	2.697 (3)	N4—H4	0.8600
O1—C7	1.252 (3)	C1—H1	0.9300
O2—C7	1.257 (3)	C2—H2a	0.9300
N1—C1	1.327 (3)	C3—H3	0.9300
N1—C3	1.375 (4)	C4—H4a	0.9300
N2—C1	1.327 (3)	C5—H5	0.9300
N2—C2	1.359 (4)	C6—H6	0.9300
N3—C4	1.327 (3)	C8—H8a	0.9600
N3—C6	1.372 (4)	C8—H8b	0.9600
N4—C4	1.329 (3)	C8—H8c	0.9600
N1—Ni1—N1^i	180.0	C6—C5—N4	106.5 (3)
N1—Ni1—N3	89.3 (1)	C5—C6—N3	110.1 (3)
N1—Ni1—N3^i	90.7 (1)	O1—C7—O2	122.6 (3)
N1—Ni1—O1	91.8 (1)	O1—C7—C8	118.6 (3)
N1—Ni1—O1^i	88.2 (1)	O2—C7—C8	118.8 (2)
N1^i—Ni1—N3	90.7 (1)	C3—C2—H2a	126.5
N1^i—Ni1—N3^i	89.3 (1)	N2—C2—H2a	126.5
N1^i—Ni1—O1	88.2 (1)	C1—N2—H2	126.2
N1^i—Ni1—O1^i	91.8 (1)	C2—N2—H2	126.2
N3—Ni1—N3^i	180.0	C4—N4—H4	126.4
N3—Ni1—O1	95.4 (1)	C5—N4—H4	126.4
N3—Ni1—O1^i	84.6 (1)	N2—C1—H1	124.5
N3^i—Ni1—O1	84.6 (1)	N1—C1—H1	124.5
N3^i—Ni1—O1^i	95.4 (1)	C2—C3—H3	125.7
O1—Ni1—O1^i	180.0 (1)	N1—C3—H3	125.7
C7—O1—Ni1	123.0 (2)	N3—C4—H4a	123.9
C1—N1—C3	105.8 (2)	N4—C4—H4a	123.9
C1—N1—Ni1	127.5 (2)	C6—C5—H5	126.8
C3—N1—Ni1	126.4 (2)	N4—C5—H5	126.8
C1—N2—C2	107.6 (2)	C5—C6—H6	124.9
C4—N3—Ni1	127.0 (2)	N3—C6—H6	124.9
C6—N3—Ni1	128.2 (2)	C7—C8—H8a	109.5
N2—C1—N1	110.9 (2)	C7—C8—H8b	109.5
C4—N3—C6	104.1 (2)	H8a—C8—H8b	109.5
C4—N4—C5	107.1 (2)	C7—C8—H8c	109.5
C3—C2—N2	107.1 (2)	H8a—C8—H8c	109.5
C2—C3—N1	108.6 (2)	H8b—C8—H8c	109.5
N3—C4—N4	112.1 (2)
N1—Ni1—O1—C7	108.9 (2)	N1^i—Ni1—N3—C6	5.5 (2)
N1^i—Ni1—O1—C7	−71.1 (2)	N3^i—Ni1—N3—C6	−26 (100)
N3^i—Ni1—O1—C7	−160.6 (2)	O1^i—Ni1—N3—C6	97.3 (2)
N3—Ni1—O1—C7	19.4 (2)	O1—Ni1—N3—C6	−82.7 (2)
O1^i—Ni1—O1—C7	147 (100)	C2—N2—C1—N1	0.1 (3)
N1^i—Ni1—N1—C1	−124 (100)	C3—N1—C1—N2	−0.2 (3)
N3^i—Ni1—N1—C1	86.9 (2)	Ni1—N1—C1—N2	173.9 (2)
N3—Ni1—N1—C1	−93.1 (2)	C1—N2—C2—C3	0.1 (3)
O1^i—Ni1—N1—C1	−8.4 (2)	N2—C2—C3—N1	−0.3 (3)
O1—Ni1—N1—C1	171.6 (2)	C1—N1—C3—C2	0.3 (3)
N1^i—Ni1—N1—C3	49 (100)	Ni1—N1—C3—C2	−173.9 (2)
N3^i—Ni1—N1—C3	−100.2 (2)	C6—N3—C4—N4	−0.5 (3)
N3—Ni1—N1—C3	79.8 (2)	Ni1—N3—C4—N4	170.9 (2)
O1^i—Ni1—N1—C3	164.5 (2)	C5—N4—C4—N3	0.8 (3)
O1—Ni1—N1—C3	−15.5 (2)	C4—N4—C5—C6	−0.8 (3)
N1—Ni1—N3—C4	16.1 (2)	N4—C5—C6—N3	0.6 (4)
N1^i—Ni1—N3—C4	−163.9 (2)	C4—N3—C6—C5	−0.1 (3)
N3^i—Ni1—N3—C4	165 (100)	Ni1—N3—C6—C5	−171.3 (2)
O1^i—Ni1—N3—C4	−72.1 (2)	Ni1—O1—C7—O2	98.8 (3)
O1—Ni1—N3—C4	107.9 (2)	Ni1—O1—C7—C8	−80.9 (3)
N1—Ni1—N3—C6	−174.5 (2)

Symmetry code: (i) −x, −y, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2···O2^ii	0.86	1.82	2.679 (3)	175
N4—H4···O1^iii	0.86	2.01	2.870 (4)	175

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