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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.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100010520/qd0009sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100010520/qd0009Isup2.hkl
Contains datablock I

CCDC reference: 150720

Computing details top

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 top
Crystal data top
[Ni(C2H3O2)2(C3H4N2)4]F(000) = 936
Mr = 449.13Dx = 1.491 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
a = 13.46 (2) ÅCell parameters from 3146 reflections
b = 8.62 (1) Åθ = 2.4–26.0°
c = 17.89 (2) ŵ = 1.01 mm1
β = 105.28 (1)°T = 298 K
V = 2001 (4) Å3Parallelepiped, pale blue
Z = 40.25 × 0.25 × 0.20 mm
Data collection top
MarResearch Image Plate
diffractometer
1540 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.027
Graphite monochromatorθmax = 26.0°, θmin = 2.4°
95 frames at 2° intervals, counting time 2 min. scansh = 016
3146 measured reflectionsk = 1010
1842 independent reflectionsl = 2121
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.036H-atom parameters constrained
wR(F2) = 0.105 w = 1/[σ2(Fo2) + (0.0629P)2 + 1.9165P]
where P = (Fo2 + 2Fc2)/3
S = 1.06(Δ/σ)max < 0.001
1842 reflectionsΔρmax = 0.52 e Å3
135 parametersΔρmin = 0.34 e Å3
0 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.009 (1)
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ni10.00000.00000.50000.0317 (2)
O10.1956 (2)0.0949 (2)0.4389 (1)0.0444 (5)
O20.2666 (2)0.1044 (2)0.3132 (1)0.0512 (5)
N10.0208 (2)0.1550 (2)0.5849 (1)0.0323 (5)
N20.0932 (2)0.2931 (3)0.6872 (1)0.0381 (5)
N30.0645 (2)0.1525 (3)0.4380 (1)0.0354 (5)
N40.1631 (2)0.3388 (3)0.4127 (1)0.0420 (5)
C10.1007 (2)0.1668 (3)0.6467 (1)0.0335 (5)
C20.0046 (2)0.3669 (3)0.6504 (2)0.0452 (7)
C30.0403 (2)0.2817 (3)0.5874 (1)0.0402 (6)
C40.1204 (2)0.2773 (3)0.4648 (2)0.0383 (6)
C50.1328 (2)0.2513 (4)0.3476 (2)0.0546 (8)
C60.0731 (2)0.1372 (4)0.3636 (2)0.0525 (8)
C70.2234 (2)0.1686 (3)0.3765 (1)0.0348 (5)
C80.2038 (3)0.3406 (4)0.3775 (2)0.0659 (9)
H20.13660.32290.72920.046*
H40.20250.41890.41900.050*
H10.15460.09600.65980.040*
H2a0.02030.45890.66580.054*
H30.10240.30470.55160.048*
H4a0.12870.31710.51440.046*
H50.14990.26700.30100.066*
H60.04220.05950.32920.063*
H8a0.23680.39000.41270.099*
H8b0.23100.38200.32630.099*
H8c0.13100.35970.39410.099*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.0451 (3)0.0280 (3)0.0225 (3)0.0122 (2)0.0097 (2)0.0057 (2)
O10.057 (1)0.040 (1)0.032 (1)0.001 (1)0.005 (1)0.006 (1)
O20.056 (1)0.046 (1)0.039 (1)0.014 (1)0.009 (1)0.003 (1)
N10.034 (1)0.034 (1)0.028 (1)0.004 (1)0.006 (1)0.003 (1)
N20.038 (1)0.039 (1)0.032 (1)0.001 (1)0.002 (1)0.010 (1)
N30.037 (1)0.036 (1)0.031 (1)0.004 (1)0.006 (1)0.002 (1)
N40.037 (1)0.037 (1)0.051 (1)0.003 (1)0.011 (1)0.010 (1)
C10.034 (1)0.034 (1)0.030 (1)0.002 (1)0.005 (1)0.005 (1)
C20.048 (2)0.046 (2)0.038 (1)0.014 (1)0.004 (1)0.010 (1)
C30.033 (1)0.048 (2)0.035 (1)0.007 (1)0.001 (1)0.004 (1)
C40.039 (1)0.034 (1)0.041 (1)0.004 (1)0.009 (1)0.004 (1)
C50.062 (2)0.060 (2)0.046 (2)0.009 (2)0.021 (1)0.012 (2)
C60.065 (2)0.057 (2)0.037 (2)0.020 (2)0.018 (1)0.003 (1)
C70.031 (1)0.035 (1)0.037 (1)0.004 (1)0.006 (1)0.003 (1)
C80.083 (3)0.038 (2)0.067 (2)0.010 (2)0.004 (2)0.010 (2)
Geometric parameters (Å, º) top
Ni1—N11.986 (3)N4—C51.356 (4)
Ni1—N1i1.986 (3)C2—C31.348 (4)
Ni1—N32.054 (3)C5—C61.347 (4)
Ni1—N3i2.054 (3)C7—C81.505 (4)
Ni1—O12.697 (3)N2—H20.8600
Ni1—O1i2.697 (3)N4—H40.8600
O1—C71.252 (3)C1—H10.9300
O2—C71.257 (3)C2—H2a0.9300
N1—C11.327 (3)C3—H30.9300
N1—C31.375 (4)C4—H4a0.9300
N2—C11.327 (3)C5—H50.9300
N2—C21.359 (4)C6—H60.9300
N3—C41.327 (3)C8—H8a0.9600
N3—C61.372 (4)C8—H8b0.9600
N4—C41.329 (3)C8—H8c0.9600
N1—Ni1—N1i180.0C6—C5—N4106.5 (3)
N1—Ni1—N389.3 (1)C5—C6—N3110.1 (3)
N1—Ni1—N3i90.7 (1)O1—C7—O2122.6 (3)
N1—Ni1—O191.8 (1)O1—C7—C8118.6 (3)
N1—Ni1—O1i88.2 (1)O2—C7—C8118.8 (2)
N1i—Ni1—N390.7 (1)C3—C2—H2a126.5
N1i—Ni1—N3i89.3 (1)N2—C2—H2a126.5
N1i—Ni1—O188.2 (1)C1—N2—H2126.2
N1i—Ni1—O1i91.8 (1)C2—N2—H2126.2
N3—Ni1—N3i180.0C4—N4—H4126.4
N3—Ni1—O195.4 (1)C5—N4—H4126.4
N3—Ni1—O1i84.6 (1)N2—C1—H1124.5
N3i—Ni1—O184.6 (1)N1—C1—H1124.5
N3i—Ni1—O1i95.4 (1)C2—C3—H3125.7
O1—Ni1—O1i180.0 (1)N1—C3—H3125.7
C7—O1—Ni1123.0 (2)N3—C4—H4a123.9
C1—N1—C3105.8 (2)N4—C4—H4a123.9
C1—N1—Ni1127.5 (2)C6—C5—H5126.8
C3—N1—Ni1126.4 (2)N4—C5—H5126.8
C1—N2—C2107.6 (2)C5—C6—H6124.9
C4—N3—Ni1127.0 (2)N3—C6—H6124.9
C6—N3—Ni1128.2 (2)C7—C8—H8a109.5
N2—C1—N1110.9 (2)C7—C8—H8b109.5
C4—N3—C6104.1 (2)H8a—C8—H8b109.5
C4—N4—C5107.1 (2)C7—C8—H8c109.5
C3—C2—N2107.1 (2)H8a—C8—H8c109.5
C2—C3—N1108.6 (2)H8b—C8—H8c109.5
N3—C4—N4112.1 (2)
N1—Ni1—O1—C7108.9 (2)N1i—Ni1—N3—C65.5 (2)
N1i—Ni1—O1—C771.1 (2)N3i—Ni1—N3—C626 (100)
N3i—Ni1—O1—C7160.6 (2)O1i—Ni1—N3—C697.3 (2)
N3—Ni1—O1—C719.4 (2)O1—Ni1—N3—C682.7 (2)
O1i—Ni1—O1—C7147 (100)C2—N2—C1—N10.1 (3)
N1i—Ni1—N1—C1124 (100)C3—N1—C1—N20.2 (3)
N3i—Ni1—N1—C186.9 (2)Ni1—N1—C1—N2173.9 (2)
N3—Ni1—N1—C193.1 (2)C1—N2—C2—C30.1 (3)
O1i—Ni1—N1—C18.4 (2)N2—C2—C3—N10.3 (3)
O1—Ni1—N1—C1171.6 (2)C1—N1—C3—C20.3 (3)
N1i—Ni1—N1—C349 (100)Ni1—N1—C3—C2173.9 (2)
N3i—Ni1—N1—C3100.2 (2)C6—N3—C4—N40.5 (3)
N3—Ni1—N1—C379.8 (2)Ni1—N3—C4—N4170.9 (2)
O1i—Ni1—N1—C3164.5 (2)C5—N4—C4—N30.8 (3)
O1—Ni1—N1—C315.5 (2)C4—N4—C5—C60.8 (3)
N1—Ni1—N3—C416.1 (2)N4—C5—C6—N30.6 (4)
N1i—Ni1—N3—C4163.9 (2)C4—N3—C6—C50.1 (3)
N3i—Ni1—N3—C4165 (100)Ni1—N3—C6—C5171.3 (2)
O1i—Ni1—N3—C472.1 (2)Ni1—O1—C7—O298.8 (3)
O1—Ni1—N3—C4107.9 (2)Ni1—O1—C7—C880.9 (3)
N1—Ni1—N3—C6174.5 (2)
Symmetry code: (i) x, y, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2···O2ii0.861.822.679 (3)175
N4—H4···O1iii0.862.012.870 (4)175
Symmetry codes: (ii) x+1/2, y+1/2, z+1/2; (iii) x+1/2, y+1/2, z.
 

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