metal-organic compounds
(Ethylenediamine-κ2N,N)bis[2-(pyridin-2-yl-κN)-1,3-imidazol-1-ido-κN1]cobalt(III) nitrate monohydrate
aCollege of Chemistry and Chemical Engineering, Huaihua University, Huaihua 418008, People's Republic of China, and bWuling Electric Power Group Corporation, Changsha 410000, People's Republic of China
*Correspondence e-mail: xiulingfeng2001@sina.com
In the title compound, [Co(C8H6N3)2(C2H8N2)]NO3·H2O, the CoIII ion is coordinated by four N atoms from two 2-(pyridin-2-yl)-1,3-imidazol-1-ide ligands and two N atoms of ethylenediamine in a distorted octahedral geometry. In the crystal, classical N—H⋯N(O) and O—H⋯N(O) hydrogen bonds connect all the isolated components together to yield a three-dimensional structure.
Related literature
For examples of metal–organic compounds containing the 2-(2-pyridyl)imidazole ligand, see: Dosser & Underhill (1972); Lan et al. (2008). For applications of these compounds, see: Carranza et al. (2009); Schott et al. (2011).
Experimental
Crystal data
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Refinement
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Data collection: SMART (Bruker, 2007); cell SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.
Supporting information
10.1107/S1600536812032692/cv5321sup1.cif
contains datablocks I, global. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536812032692/cv5321Isup2.hkl
An ethanol solution (7 ml) of 2-(2-pyridyl)imidazole (0.5 mmol) was slowly added to an aqueous solution (8 ml) of Co(NO3)2.6H2O (0.5 mmol) and ethylenediamine (2 mmol). Red block crystals were obtained after two months.
All H atoms were geometrically positioned (C—H = 0.93–0.97 Å; O—H = 0.85 Å; N—H = 0.90 Å) and treated as riding, with Uiso(H) = 1.2Ueq of the parent atom.
Data collection: SMART (Bruker, 2007); cell
SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).Fig. 1. View of (I) showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms have been omitted for clarity. | |
Fig. 2. A portion of the crystal packing showing hydrogen bonds by dashed lines. |
[Co(C8H6N3)2(C2H8N2)]NO3·H2O | Z = 2 |
Mr = 487.38 | F(000) = 504 |
Triclinic, P1 | Dx = 1.513 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 8.6669 (5) Å | Cell parameters from 2876 reflections |
b = 11.0574 (8) Å | θ = 2.6–28.0° |
c = 12.5304 (10) Å | µ = 0.85 mm−1 |
α = 76.133 (2)° | T = 298 K |
β = 75.672 (2)° | Block, red |
γ = 68.797 (1)° | 0.45 × 0.38 × 0.30 mm |
V = 1069.62 (13) Å3 |
Bruker SMART 1000 CCD diffractometer | 3714 independent reflections |
Radiation source: fine-focus sealed tube | 2907 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.021 |
ϕ and ω scans | θmax = 25.0°, θmin = 2.6° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −7→10 |
Tmin = 0.699, Tmax = 0.783 | k = −13→13 |
5376 measured reflections | l = −10→14 |
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)] = 0.037 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.110 | w = 1/[σ2(Fo2) + (0.0517P)2 + 0.5557P] where P = (Fo2 + 2Fc2)/3 |
S = 1.05 | (Δ/σ)max < 0.001 |
3714 reflections | Δρmax = 0.32 e Å−3 |
289 parameters | Δρmin = −0.42 e Å−3 |
0 restraints |
[Co(C8H6N3)2(C2H8N2)]NO3·H2O | γ = 68.797 (1)° |
Mr = 487.38 | V = 1069.62 (13) Å3 |
Triclinic, P1 | Z = 2 |
a = 8.6669 (5) Å | Mo Kα radiation |
b = 11.0574 (8) Å | µ = 0.85 mm−1 |
c = 12.5304 (10) Å | T = 298 K |
α = 76.133 (2)° | 0.45 × 0.38 × 0.30 mm |
β = 75.672 (2)° |
Bruker SMART 1000 CCD diffractometer | 3714 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 2907 reflections with I > 2σ(I) |
Tmin = 0.699, Tmax = 0.783 | Rint = 0.021 |
5376 measured reflections |
R[F2 > 2σ(F2)] = 0.037 | 289 parameters |
wR(F2) = 0.110 | 0 restraints |
S = 1.05 | Δρmax = 0.32 e Å−3 |
3714 reflections | Δρmin = −0.42 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 | 0.49327 (4) | 0.24908 (3) | 0.25014 (3) | 0.03109 (14) | |
N1 | 0.3734 (3) | 0.3487 (2) | 0.13063 (18) | 0.0349 (5) | |
N2 | 0.2556 (3) | 0.5498 (2) | 0.03542 (19) | 0.0427 (6) | |
N3 | 0.4925 (3) | 0.4242 (2) | 0.26227 (18) | 0.0334 (5) | |
N4 | 0.5997 (3) | 0.1632 (2) | 0.37782 (17) | 0.0318 (5) | |
N5 | 0.5660 (3) | 0.1121 (2) | 0.56550 (18) | 0.0413 (6) | |
N6 | 0.2860 (3) | 0.2713 (2) | 0.36447 (19) | 0.0353 (5) | |
N7 | 0.7032 (3) | 0.2170 (2) | 0.14273 (18) | 0.0373 (5) | |
H7A | 0.7057 | 0.2916 | 0.0949 | 0.045* | |
H7B | 0.7911 | 0.1895 | 0.1785 | 0.045* | |
N8 | 0.4899 (3) | 0.0816 (2) | 0.23036 (18) | 0.0364 (5) | |
H8A | 0.4718 | 0.0319 | 0.2975 | 0.044* | |
H8B | 0.4055 | 0.0949 | 0.1946 | 0.044* | |
N9 | 0.1402 (4) | 0.0294 (3) | 0.1721 (2) | 0.0530 (7) | |
O1 | 0.2907 (3) | −0.0084 (3) | 0.1286 (2) | 0.0716 (7) | |
O2 | 0.0499 (4) | −0.0394 (3) | 0.1852 (3) | 0.1010 (11) | |
O3 | 0.0786 (4) | 0.1364 (3) | 0.2036 (3) | 0.1008 (11) | |
O4 | 0.9518 (6) | 0.7421 (6) | 0.1433 (6) | 0.251 (4) | |
H4C | 0.9804 | 0.8031 | 0.1547 | 0.301* | |
H4D | 1.0388 | 0.6873 | 0.1124 | 0.301* | |
C1 | 0.3419 (3) | 0.4799 (3) | 0.1174 (2) | 0.0342 (6) | |
C2 | 0.2299 (4) | 0.4556 (3) | −0.0051 (2) | 0.0454 (7) | |
H2 | 0.1728 | 0.4724 | −0.0636 | 0.054* | |
C3 | 0.3003 (4) | 0.3323 (3) | 0.0528 (2) | 0.0431 (7) | |
H3 | 0.2983 | 0.2531 | 0.0409 | 0.052* | |
C4 | 0.4052 (3) | 0.5251 (3) | 0.1918 (2) | 0.0353 (6) | |
C5 | 0.3797 (4) | 0.6549 (3) | 0.1971 (2) | 0.0454 (7) | |
H5 | 0.3159 | 0.7230 | 0.1502 | 0.055* | |
C6 | 0.4492 (5) | 0.6817 (3) | 0.2719 (3) | 0.0553 (9) | |
H6 | 0.4346 | 0.7682 | 0.2757 | 0.066* | |
C7 | 0.5412 (5) | 0.5790 (3) | 0.3417 (3) | 0.0585 (9) | |
H7 | 0.5901 | 0.5955 | 0.3926 | 0.070* | |
C8 | 0.5597 (4) | 0.4522 (3) | 0.3350 (3) | 0.0476 (8) | |
H8 | 0.6210 | 0.3834 | 0.3826 | 0.057* | |
C9 | 0.4922 (3) | 0.1662 (3) | 0.4763 (2) | 0.0336 (6) | |
C10 | 0.7323 (4) | 0.0724 (3) | 0.5200 (2) | 0.0457 (7) | |
H10 | 0.8187 | 0.0298 | 0.5609 | 0.055* | |
C11 | 0.7555 (4) | 0.1034 (3) | 0.4057 (2) | 0.0416 (7) | |
H11 | 0.8578 | 0.0869 | 0.3566 | 0.050* | |
C12 | 0.3150 (4) | 0.2280 (3) | 0.4713 (2) | 0.0363 (6) | |
C13 | 0.1848 (4) | 0.2462 (3) | 0.5620 (3) | 0.0535 (8) | |
H13 | 0.2072 | 0.2190 | 0.6344 | 0.064* | |
C14 | 0.0221 (5) | 0.3050 (4) | 0.5436 (3) | 0.0677 (10) | |
H14 | −0.0673 | 0.3173 | 0.6034 | 0.081* | |
C15 | −0.0066 (4) | 0.3452 (4) | 0.4357 (3) | 0.0690 (11) | |
H15 | −0.1162 | 0.3845 | 0.4222 | 0.083* | |
C16 | 0.1268 (4) | 0.3275 (3) | 0.3472 (3) | 0.0518 (8) | |
H16 | 0.1058 | 0.3550 | 0.2745 | 0.062* | |
C17 | 0.7132 (4) | 0.1148 (3) | 0.0810 (2) | 0.0495 (8) | |
H17A | 0.8282 | 0.0759 | 0.0453 | 0.059* | |
H17B | 0.6434 | 0.1531 | 0.0239 | 0.059* | |
C18 | 0.6521 (4) | 0.0123 (3) | 0.1648 (3) | 0.0520 (8) | |
H18A | 0.6369 | −0.0485 | 0.1269 | 0.062* | |
H18B | 0.7332 | −0.0371 | 0.2136 | 0.062* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.0394 (2) | 0.0299 (2) | 0.0266 (2) | −0.01405 (16) | −0.01009 (15) | −0.00071 (14) |
N1 | 0.0443 (13) | 0.0330 (12) | 0.0328 (12) | −0.0181 (11) | −0.0128 (10) | −0.0003 (10) |
N2 | 0.0461 (14) | 0.0413 (14) | 0.0389 (13) | −0.0121 (11) | −0.0145 (11) | 0.0003 (11) |
N3 | 0.0393 (12) | 0.0316 (12) | 0.0321 (12) | −0.0134 (10) | −0.0094 (10) | −0.0037 (10) |
N4 | 0.0398 (12) | 0.0306 (12) | 0.0274 (11) | −0.0154 (10) | −0.0070 (9) | −0.0015 (9) |
N5 | 0.0557 (16) | 0.0416 (14) | 0.0306 (12) | −0.0203 (12) | −0.0124 (11) | −0.0010 (10) |
N6 | 0.0393 (13) | 0.0341 (12) | 0.0354 (12) | −0.0137 (10) | −0.0096 (10) | −0.0052 (10) |
N7 | 0.0456 (13) | 0.0338 (12) | 0.0305 (12) | −0.0138 (10) | −0.0078 (10) | 0.0009 (10) |
N8 | 0.0496 (14) | 0.0357 (13) | 0.0281 (12) | −0.0188 (11) | −0.0104 (10) | −0.0013 (10) |
N9 | 0.0548 (18) | 0.0607 (18) | 0.0509 (16) | −0.0207 (15) | −0.0092 (13) | −0.0194 (14) |
O1 | 0.0454 (14) | 0.0897 (19) | 0.0888 (19) | −0.0163 (13) | −0.0105 (13) | −0.0415 (16) |
O2 | 0.077 (2) | 0.112 (3) | 0.142 (3) | −0.0543 (19) | 0.0104 (19) | −0.064 (2) |
O3 | 0.100 (2) | 0.074 (2) | 0.128 (3) | −0.0427 (18) | 0.038 (2) | −0.052 (2) |
O4 | 0.126 (4) | 0.214 (6) | 0.389 (10) | −0.007 (4) | 0.033 (5) | −0.164 (7) |
C1 | 0.0381 (15) | 0.0319 (14) | 0.0311 (14) | −0.0121 (12) | −0.0071 (11) | −0.0001 (11) |
C2 | 0.0497 (17) | 0.0535 (19) | 0.0367 (16) | −0.0185 (15) | −0.0190 (13) | 0.0005 (14) |
C3 | 0.0534 (18) | 0.0451 (17) | 0.0393 (16) | −0.0229 (15) | −0.0169 (14) | −0.0026 (13) |
C4 | 0.0375 (15) | 0.0346 (15) | 0.0324 (14) | −0.0123 (12) | −0.0041 (11) | −0.0039 (12) |
C5 | 0.0570 (19) | 0.0350 (16) | 0.0419 (17) | −0.0139 (14) | −0.0082 (14) | −0.0041 (13) |
C6 | 0.080 (2) | 0.0385 (18) | 0.054 (2) | −0.0238 (17) | −0.0104 (18) | −0.0120 (15) |
C7 | 0.085 (3) | 0.052 (2) | 0.058 (2) | −0.0348 (19) | −0.0285 (19) | −0.0100 (17) |
C8 | 0.0576 (19) | 0.0460 (18) | 0.0496 (18) | −0.0215 (15) | −0.0234 (15) | −0.0052 (14) |
C9 | 0.0472 (16) | 0.0294 (14) | 0.0289 (14) | −0.0177 (12) | −0.0074 (12) | −0.0043 (11) |
C10 | 0.0543 (19) | 0.0497 (18) | 0.0370 (16) | −0.0187 (15) | −0.0223 (14) | 0.0038 (14) |
C11 | 0.0404 (16) | 0.0447 (17) | 0.0398 (16) | −0.0138 (13) | −0.0132 (13) | −0.0004 (13) |
C12 | 0.0458 (16) | 0.0331 (15) | 0.0338 (15) | −0.0177 (13) | −0.0056 (12) | −0.0064 (12) |
C13 | 0.056 (2) | 0.056 (2) | 0.0438 (18) | −0.0184 (16) | −0.0002 (15) | −0.0083 (15) |
C14 | 0.052 (2) | 0.079 (3) | 0.063 (2) | −0.0199 (19) | 0.0076 (18) | −0.016 (2) |
C15 | 0.0379 (18) | 0.086 (3) | 0.080 (3) | −0.0145 (18) | −0.0102 (18) | −0.016 (2) |
C16 | 0.0452 (18) | 0.059 (2) | 0.055 (2) | −0.0163 (16) | −0.0173 (15) | −0.0084 (16) |
C17 | 0.061 (2) | 0.0477 (18) | 0.0366 (16) | −0.0160 (16) | −0.0009 (14) | −0.0126 (14) |
C18 | 0.069 (2) | 0.0374 (17) | 0.0482 (19) | −0.0168 (15) | −0.0047 (16) | −0.0100 (14) |
Co1—N4 | 1.919 (2) | C1—C4 | 1.447 (4) |
Co1—N1 | 1.920 (2) | C2—C3 | 1.378 (4) |
Co1—N8 | 1.938 (2) | C2—H2 | 0.9300 |
Co1—N7 | 1.949 (2) | C3—H3 | 0.9300 |
Co1—N3 | 1.976 (2) | C4—C5 | 1.387 (4) |
Co1—N6 | 1.979 (2) | C5—C6 | 1.369 (4) |
N1—C1 | 1.352 (3) | C5—H5 | 0.9300 |
N1—C3 | 1.364 (3) | C6—C7 | 1.380 (5) |
N2—C1 | 1.339 (3) | C6—H6 | 0.9300 |
N2—C2 | 1.367 (4) | C7—C8 | 1.373 (4) |
N3—C8 | 1.340 (4) | C7—H7 | 0.9300 |
N3—C4 | 1.358 (3) | C8—H8 | 0.9300 |
N4—C9 | 1.349 (3) | C9—C12 | 1.448 (4) |
N4—C11 | 1.363 (3) | C10—C11 | 1.372 (4) |
N5—C9 | 1.331 (3) | C10—H10 | 0.9300 |
N5—C10 | 1.361 (4) | C11—H11 | 0.9300 |
N6—C16 | 1.341 (4) | C12—C13 | 1.384 (4) |
N6—C12 | 1.363 (3) | C13—C14 | 1.375 (5) |
N7—C17 | 1.482 (4) | C13—H13 | 0.9300 |
N7—H7A | 0.9000 | C14—C15 | 1.373 (5) |
N7—H7B | 0.9000 | C14—H14 | 0.9300 |
N8—C18 | 1.480 (4) | C15—C16 | 1.383 (5) |
N8—H8A | 0.9000 | C15—H15 | 0.9300 |
N8—H8B | 0.9000 | C16—H16 | 0.9300 |
N9—O3 | 1.227 (4) | C17—C18 | 1.502 (4) |
N9—O2 | 1.235 (4) | C17—H17A | 0.9700 |
N9—O1 | 1.239 (3) | C17—H17B | 0.9700 |
O4—H4C | 0.8500 | C18—H18A | 0.9700 |
O4—H4D | 0.8500 | C18—H18B | 0.9700 |
N4—Co1—N1 | 174.33 (9) | C2—C3—H3 | 126.5 |
N4—Co1—N8 | 89.92 (9) | N3—C4—C5 | 121.3 (3) |
N1—Co1—N8 | 94.32 (9) | N3—C4—C1 | 112.4 (2) |
N4—Co1—N7 | 94.58 (9) | C5—C4—C1 | 126.3 (3) |
N1—Co1—N7 | 89.45 (10) | C6—C5—C4 | 119.3 (3) |
N8—Co1—N7 | 86.37 (9) | C6—C5—H5 | 120.3 |
N4—Co1—N3 | 93.23 (9) | C4—C5—H5 | 120.3 |
N1—Co1—N3 | 82.56 (9) | C5—C6—C7 | 119.3 (3) |
N8—Co1—N3 | 176.82 (9) | C5—C6—H6 | 120.3 |
N7—Co1—N3 | 92.92 (9) | C7—C6—H6 | 120.3 |
N4—Co1—N6 | 82.67 (9) | C8—C7—C6 | 119.1 (3) |
N1—Co1—N6 | 93.44 (9) | C8—C7—H7 | 120.4 |
N8—Co1—N6 | 91.62 (9) | C6—C7—H7 | 120.4 |
N7—Co1—N6 | 176.60 (9) | N3—C8—C7 | 122.3 (3) |
N3—Co1—N6 | 89.24 (9) | N3—C8—H8 | 118.8 |
C1—N1—C3 | 105.2 (2) | C7—C8—H8 | 118.8 |
C1—N1—Co1 | 113.99 (18) | N5—C9—N4 | 114.4 (2) |
C3—N1—Co1 | 140.8 (2) | N5—C9—C12 | 129.0 (2) |
C1—N2—C2 | 103.1 (2) | N4—C9—C12 | 116.6 (2) |
C8—N3—C4 | 118.6 (2) | N5—C10—C11 | 110.9 (3) |
C8—N3—Co1 | 127.1 (2) | N5—C10—H10 | 124.5 |
C4—N3—Co1 | 114.23 (18) | C11—C10—H10 | 124.5 |
C9—N4—C11 | 104.8 (2) | N4—C11—C10 | 106.8 (3) |
C9—N4—Co1 | 114.15 (18) | N4—C11—H11 | 126.6 |
C11—N4—Co1 | 140.85 (19) | C10—C11—H11 | 126.6 |
C9—N5—C10 | 103.0 (2) | N6—C12—C13 | 121.5 (3) |
C16—N6—C12 | 119.0 (3) | N6—C12—C9 | 112.5 (2) |
C16—N6—Co1 | 127.1 (2) | C13—C12—C9 | 126.0 (3) |
C12—N6—Co1 | 113.85 (18) | C14—C13—C12 | 119.1 (3) |
C17—N7—Co1 | 108.11 (18) | C14—C13—H13 | 120.4 |
C17—N7—H7A | 110.1 | C12—C13—H13 | 120.4 |
Co1—N7—H7A | 110.1 | C15—C14—C13 | 119.0 (3) |
C17—N7—H7B | 110.1 | C15—C14—H14 | 120.5 |
Co1—N7—H7B | 110.1 | C13—C14—H14 | 120.5 |
H7A—N7—H7B | 108.4 | C14—C15—C16 | 120.2 (3) |
C18—N8—Co1 | 109.97 (18) | C14—C15—H15 | 119.9 |
C18—N8—H8A | 109.7 | C16—C15—H15 | 119.9 |
Co1—N8—H8A | 109.7 | N6—C16—C15 | 121.1 (3) |
C18—N8—H8B | 109.7 | N6—C16—H16 | 119.5 |
Co1—N8—H8B | 109.7 | C15—C16—H16 | 119.5 |
H8A—N8—H8B | 108.2 | N7—C17—C18 | 107.1 (2) |
O3—N9—O2 | 118.7 (3) | N7—C17—H17A | 110.3 |
O3—N9—O1 | 120.1 (3) | C18—C17—H17A | 110.3 |
O2—N9—O1 | 121.2 (3) | N7—C17—H17B | 110.3 |
H4C—O4—H4D | 108.4 | C18—C17—H17B | 110.3 |
N2—C1—N1 | 114.1 (2) | H17A—C17—H17B | 108.5 |
N2—C1—C4 | 129.3 (2) | N8—C18—C17 | 107.4 (2) |
N1—C1—C4 | 116.6 (2) | N8—C18—H18A | 110.2 |
N2—C2—C3 | 110.6 (3) | C17—C18—H18A | 110.2 |
N2—C2—H2 | 124.7 | N8—C18—H18B | 110.2 |
C3—C2—H2 | 124.7 | C17—C18—H18B | 110.2 |
N1—C3—C2 | 107.0 (3) | H18A—C18—H18B | 108.5 |
N1—C3—H3 | 126.5 | ||
N4—Co1—N1—C1 | 39.5 (10) | C3—N1—C1—N2 | −0.9 (3) |
N8—Co1—N1—C1 | 177.82 (19) | Co1—N1—C1—N2 | −178.86 (18) |
N7—Co1—N1—C1 | −95.86 (19) | C3—N1—C1—C4 | 179.4 (2) |
N3—Co1—N1—C1 | −2.85 (18) | Co1—N1—C1—C4 | 1.4 (3) |
N6—Co1—N1—C1 | 85.94 (19) | C1—N2—C2—C3 | 0.0 (3) |
N4—Co1—N1—C3 | −137.4 (8) | C1—N1—C3—C2 | 0.9 (3) |
N8—Co1—N1—C3 | 0.9 (3) | Co1—N1—C3—C2 | 177.9 (2) |
N7—Co1—N1—C3 | 87.3 (3) | N2—C2—C3—N1 | −0.6 (3) |
N3—Co1—N1—C3 | −179.7 (3) | C8—N3—C4—C5 | −2.5 (4) |
N6—Co1—N1—C3 | −91.0 (3) | Co1—N3—C4—C5 | 174.0 (2) |
N4—Co1—N3—C8 | 4.0 (3) | C8—N3—C4—C1 | 179.3 (2) |
N1—Co1—N3—C8 | −179.9 (3) | Co1—N3—C4—C1 | −4.2 (3) |
N8—Co1—N3—C8 | −167.7 (15) | N2—C1—C4—N3 | −177.8 (3) |
N7—Co1—N3—C8 | −90.8 (3) | N1—C1—C4—N3 | 1.9 (3) |
N6—Co1—N3—C8 | 86.6 (2) | N2—C1—C4—C5 | 4.1 (5) |
N4—Co1—N3—C4 | −172.22 (19) | N1—C1—C4—C5 | −176.2 (3) |
N1—Co1—N3—C4 | 3.96 (18) | N3—C4—C5—C6 | 2.5 (4) |
N8—Co1—N3—C4 | 16.1 (17) | C1—C4—C5—C6 | −179.6 (3) |
N7—Co1—N3—C4 | 93.02 (19) | C4—C5—C6—C7 | −1.0 (5) |
N6—Co1—N3—C4 | −89.61 (19) | C5—C6—C7—C8 | −0.5 (5) |
N1—Co1—N4—C9 | 43.2 (10) | C4—N3—C8—C7 | 1.0 (5) |
N8—Co1—N4—C9 | −95.29 (19) | Co1—N3—C8—C7 | −175.1 (2) |
N7—Co1—N4—C9 | 178.36 (18) | C6—C7—C8—N3 | 0.5 (5) |
N3—Co1—N4—C9 | 85.17 (19) | C10—N5—C9—N4 | 0.2 (3) |
N6—Co1—N4—C9 | −3.64 (18) | C10—N5—C9—C12 | −179.1 (3) |
N1—Co1—N4—C11 | −131.4 (8) | C11—N4—C9—N5 | −0.6 (3) |
N8—Co1—N4—C11 | 90.1 (3) | Co1—N4—C9—N5 | −177.08 (17) |
N7—Co1—N4—C11 | 3.8 (3) | C11—N4—C9—C12 | 178.8 (2) |
N3—Co1—N4—C11 | −89.4 (3) | Co1—N4—C9—C12 | 2.3 (3) |
N6—Co1—N4—C11 | −178.3 (3) | C9—N5—C10—C11 | 0.3 (3) |
N4—Co1—N6—C16 | −178.3 (3) | C9—N4—C11—C10 | 0.7 (3) |
N1—Co1—N6—C16 | 5.8 (3) | Co1—N4—C11—C10 | 175.6 (2) |
N8—Co1—N6—C16 | −88.6 (3) | N5—C10—C11—N4 | −0.6 (3) |
N7—Co1—N6—C16 | −142.2 (15) | C16—N6—C12—C13 | −3.0 (4) |
N3—Co1—N6—C16 | 88.3 (3) | Co1—N6—C12—C13 | 174.4 (2) |
N4—Co1—N6—C12 | 4.48 (18) | C16—N6—C12—C9 | 178.2 (2) |
N1—Co1—N6—C12 | −171.38 (19) | Co1—N6—C12—C9 | −4.3 (3) |
N8—Co1—N6—C12 | 94.19 (19) | N5—C9—C12—N6 | −179.3 (2) |
N7—Co1—N6—C12 | 40.5 (16) | N4—C9—C12—N6 | 1.4 (3) |
N3—Co1—N6—C12 | −88.87 (19) | N5—C9—C12—C13 | 2.0 (5) |
N4—Co1—N7—C17 | 107.72 (18) | N4—C9—C12—C13 | −177.3 (3) |
N1—Co1—N7—C17 | −76.28 (19) | N6—C12—C13—C14 | 2.4 (5) |
N8—Co1—N7—C17 | 18.09 (18) | C9—C12—C13—C14 | −179.0 (3) |
N3—Co1—N7—C17 | −158.80 (18) | C12—C13—C14—C15 | −0.6 (6) |
N6—Co1—N7—C17 | 71.9 (16) | C13—C14—C15—C16 | −0.5 (6) |
N4—Co1—N8—C18 | −85.02 (19) | C12—N6—C16—C15 | 1.9 (5) |
N1—Co1—N8—C18 | 98.7 (2) | Co1—N6—C16—C15 | −175.2 (3) |
N7—Co1—N8—C18 | 9.57 (19) | C14—C15—C16—N6 | −0.2 (6) |
N3—Co1—N8—C18 | 86.7 (16) | Co1—N7—C17—C18 | −41.4 (3) |
N6—Co1—N8—C18 | −167.69 (19) | Co1—N8—C18—C17 | −34.7 (3) |
C2—N2—C1—N1 | 0.5 (3) | N7—C17—C18—N8 | 49.6 (3) |
C2—N2—C1—C4 | −179.8 (3) |
D—H···A | D—H | H···A | D···A | D—H···A |
N8—H8B···O1 | 0.90 | 2.16 | 2.922 (4) | 142 |
N8—H8A···N5i | 0.90 | 2.09 | 2.979 (3) | 168 |
N7—H7A···N2ii | 0.90 | 2.15 | 3.045 (3) | 171 |
N7—H7B···O3iii | 0.90 | 2.43 | 3.281 (5) | 158 |
O4—H4D···N2iii | 0.85 | 2.12 | 2.974 (7) | 180 |
O4—H4C···O2iv | 0.85 | 2.18 | 3.026 (7) | 179 |
Symmetry codes: (i) −x+1, −y, −z+1; (ii) −x+1, −y+1, −z; (iii) x+1, y, z; (iv) x+1, y+1, z. |
Experimental details
Crystal data | |
Chemical formula | [Co(C8H6N3)2(C2H8N2)]NO3·H2O |
Mr | 487.38 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 298 |
a, b, c (Å) | 8.6669 (5), 11.0574 (8), 12.5304 (10) |
α, β, γ (°) | 76.133 (2), 75.672 (2), 68.797 (1) |
V (Å3) | 1069.62 (13) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 0.85 |
Crystal size (mm) | 0.45 × 0.38 × 0.30 |
Data collection | |
Diffractometer | Bruker SMART 1000 CCD diffractometer |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.699, 0.783 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 5376, 3714, 2907 |
Rint | 0.021 |
(sin θ/λ)max (Å−1) | 0.595 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.037, 0.110, 1.05 |
No. of reflections | 3714 |
No. of parameters | 289 |
Δρmax, Δρmin (e Å−3) | 0.32, −0.42 |
Computer programs: SMART (Bruker, 2007), SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).
D—H···A | D—H | H···A | D···A | D—H···A |
N8—H8B···O1 | 0.90 | 2.16 | 2.922 (4) | 142 |
N8—H8A···N5i | 0.90 | 2.09 | 2.979 (3) | 168 |
N7—H7A···N2ii | 0.90 | 2.15 | 3.045 (3) | 171 |
N7—H7B···O3iii | 0.90 | 2.43 | 3.281 (5) | 158 |
O4—H4D···N2iii | 0.85 | 2.12 | 2.974 (7) | 180 |
O4—H4C···O2iv | 0.85 | 2.18 | 3.026 (7) | 179 |
Symmetry codes: (i) −x+1, −y, −z+1; (ii) −x+1, −y+1, −z; (iii) x+1, y, z; (iv) x+1, y+1, z. |
Acknowledgements
The authors appreciate the help of Professor Dr Lidan Zhang and the financial support of the Science Foundation of Huaihua University (grant No. HHUQ.2009–10.).
References
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This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Organometallic complexes with the 2-(2-pyridyl)imidazole ligand (Dosser & Underhill, 1972; Lan et al., 2008) are intensively studied due to their magnetic properties (Carranza et al., 2009; Schott et al., 2011). Herewith we report the crystal structure of the title compound, (I) - a Co(III) complex with 2-(2-pyridyl)imidazolato ligands.
In (I) (Fig. 1), Co(III) ion is chelated by one ethylenediamine and two 2-(2-pyridyl)imidazolato ligands being coordinated by six N atoms in a distorted octahedral geometry. The bite angles of ethylenediamine and 2-(2-pyridyl)imidazolato chelate ligands to the cobalt atom are ca 84.72 (11)° and 89.02 (11)°, respectively. An extensive hydrogen-bonding network (Table 1) involving the N atoms of the ethylenediamine and 2-(2-pyridyl)imidazolato ligands, the water molecule and O atoms of nitrate anion interconnect all the isolated moieties together to yield a three-dimensional structure (Fig. 2).