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metal-organic compounds
Hexakis(1-methyl-1H-imidazole-κN3)cobalt(II) dibromide dihydrate
aDepartment of Chemistry, Hefei Teachers College, Hefei, Anhui 230061, People's Republic of China
*Correspondence e-mail: rufuyao@sian.com
The 4H6N2)6]Br2·2H2O, contains one-half of the centrosymmetric cation, one Br atom and one water molecule. The CoII atom, lying on an inversion center, has a distorted octahedral geometry, defined by six N atoms from six 1-methylimidazole ligands. In the intra- and intermolecular O—H⋯Br hydrogen bonds link pairs of uncoordinated water molecules and bromide anions.
of the title compound, [Co(CRelated literature
For general background, see: Lin et al. (2007); Rogers & Seddon (2003
); Xie et al. (2008
). For a related structure, see: Baca et al. (2005
).
Experimental
Crystal data
|
Refinement
|
|
|
Data collection: SMART (Bruker, 2001); cell SAINT (Bruker, 2001
); 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/S1600536808042906/hk2594sup1.cif
contains datablocks I, global. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536808042906/hk2594Isup2.hkl
CO(NO3)2.6H2O (0.9 g) and N-methyl imidazole (0.5 g) were placed in a Teflon-line stainless-steel autoclave (25 ml) mixed with 1-ethyl-3-methyl- imidazolium (EMIBr)(1.0 g). The mixtures were heated at 423 K for 3 d, followed by cooling slowly to room temperature. The red block crystals were collected.
H atoms were positioned geometrically, with O-H = 0.8544 and 0.8553 Å (for H2O) and C-H = 0.93 and 0.96 Å for aromatic and methyl H, respectively, and constrained to ride on their parent atoms, with Uiso(H) = xUeq(C,O), where x = 1.2 for aromatic H and x = 1.5 for all other H atoms.
Data collection: SMART (Bruker, 2001); cell
SAINT (Bruker, 2001); data reduction: SAINT (Bruker, 2001); 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).[Co(C4H6N2)6]Br2·2H2O | F(000) = 762 |
Mr = 747.41 | Dx = 1.47 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 7560 reflections |
a = 8.182 (2) Å | θ = 2.5–27.1° |
b = 13.573 (2) Å | µ = 2.93 mm−1 |
c = 16.2340 (19) Å | T = 298 K |
β = 111.12 (4)° | Block, red |
V = 1681.8 (7) Å3 | 0.40 × 0.30 × 0.30 mm |
Z = 2 |
Bruker SMART CCD area-detector diffractometer | 3294 independent reflections |
Radiation source: fine-focus sealed tube | 2710 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.071 |
ϕ and ω scans | θmax = 26.0°, θmin = 2.0° |
Absorption correction: multi-scan (SADABS; Bruker, 2001) | h = −9→10 |
Tmin = 0.363, Tmax = 0.416 | k = −15→16 |
16985 measured reflections | l = −20→20 |
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) = 0.103 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0649P)2 + 0.2015P] where P = (Fo2 + 2Fc2)/3 |
3294 reflections | (Δ/σ)max = 0.001 |
187 parameters | Δρmax = 0.86 e Å−3 |
0 restraints | Δρmin = −0.36 e Å−3 |
[Co(C4H6N2)6]Br2·2H2O | V = 1681.8 (7) Å3 |
Mr = 747.41 | Z = 2 |
Monoclinic, P21/c | Mo Kα radiation |
a = 8.182 (2) Å | µ = 2.93 mm−1 |
b = 13.573 (2) Å | T = 298 K |
c = 16.2340 (19) Å | 0.40 × 0.30 × 0.30 mm |
β = 111.12 (4)° |
Bruker SMART CCD area-detector diffractometer | 3294 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 2001) | 2710 reflections with I > 2σ(I) |
Tmin = 0.363, Tmax = 0.416 | Rint = 0.071 |
16985 measured reflections |
R[F2 > 2σ(F2)] = 0.037 | 0 restraints |
wR(F2) = 0.103 | H-atom parameters constrained |
S = 1.04 | Δρmax = 0.86 e Å−3 |
3294 reflections | Δρmin = −0.36 e Å−3 |
187 parameters |
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 | 0.5000 | 0.5000 | 0.5000 | 0.03601 (15) | |
Br1 | 0.78110 (4) | 0.87845 (2) | 0.56859 (2) | 0.05972 (14) | |
O1W | 0.4155 (4) | 0.9171 (2) | 0.3940 (2) | 0.1105 (11) | |
H1WA | 0.3888 | 0.9772 | 0.3983 | 0.166* | |
H1WB | 0.4947 | 0.9012 | 0.4433 | 0.166* | |
N1 | 0.3436 (3) | 0.62856 (14) | 0.51072 (14) | 0.0415 (5) | |
N2 | 0.2626 (3) | 0.77351 (16) | 0.54359 (16) | 0.0490 (5) | |
N3 | 0.7232 (3) | 0.54470 (15) | 0.61490 (13) | 0.0419 (5) | |
N4 | 0.9664 (3) | 0.61811 (16) | 0.70086 (15) | 0.0504 (6) | |
N5 | 0.4033 (3) | 0.41844 (16) | 0.58900 (13) | 0.0433 (5) | |
N6 | 0.3497 (3) | 0.30035 (18) | 0.66980 (15) | 0.0539 (6) | |
C1 | 0.3966 (3) | 0.71343 (19) | 0.54940 (17) | 0.0449 (6) | |
H1A | 0.5138 | 0.7302 | 0.5777 | 0.054* | |
C2 | 0.1629 (4) | 0.6342 (2) | 0.4783 (2) | 0.0543 (7) | |
H2A | 0.0873 | 0.5845 | 0.4474 | 0.065* | |
C3 | 0.1130 (4) | 0.7236 (2) | 0.4986 (2) | 0.0567 (7) | |
H3A | −0.0012 | 0.7463 | 0.4845 | 0.068* | |
C4 | 0.2759 (5) | 0.8748 (2) | 0.5786 (3) | 0.0792 (12) | |
H4A | 0.3971 | 0.8920 | 0.6075 | 0.119* | |
H4B | 0.2173 | 0.8785 | 0.6202 | 0.119* | |
H4C | 0.2220 | 0.9198 | 0.5309 | 0.119* | |
C5 | 0.8328 (3) | 0.61851 (19) | 0.62204 (17) | 0.0444 (6) | |
H5A | 0.8195 | 0.6651 | 0.5781 | 0.053* | |
C6 | 0.7915 (4) | 0.4943 (2) | 0.69380 (18) | 0.0521 (7) | |
H6A | 0.7419 | 0.4386 | 0.7085 | 0.063* | |
C7 | 0.9419 (4) | 0.5382 (2) | 0.74685 (19) | 0.0564 (7) | |
H7A | 1.0137 | 0.5181 | 0.8030 | 0.068* | |
C8 | 1.1066 (5) | 0.6909 (3) | 0.7314 (3) | 0.0799 (10) | |
H8A | 1.0926 | 0.7386 | 0.6857 | 0.120* | |
H8B | 1.2178 | 0.6586 | 0.7457 | 0.120* | |
H8C | 1.1017 | 0.7234 | 0.7830 | 0.120* | |
C9 | 0.4120 (4) | 0.3232 (2) | 0.60596 (17) | 0.0480 (6) | |
H9A | 0.4561 | 0.2770 | 0.5771 | 0.058* | |
C10 | 0.3301 (4) | 0.4577 (2) | 0.6465 (2) | 0.0626 (8) | |
H10A | 0.3063 | 0.5242 | 0.6502 | 0.075* | |
C11 | 0.2980 (5) | 0.3862 (2) | 0.6964 (2) | 0.0663 (9) | |
H11A | 0.2502 | 0.3940 | 0.7400 | 0.080* | |
C12 | 0.3336 (6) | 0.2008 (3) | 0.7011 (2) | 0.0862 (12) | |
H12A | 0.3805 | 0.1539 | 0.6713 | 0.129* | |
H12B | 0.2123 | 0.1863 | 0.6890 | 0.129* | |
H12C | 0.3973 | 0.1970 | 0.7636 | 0.129* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.0387 (3) | 0.0319 (3) | 0.0416 (2) | 0.00008 (18) | 0.0197 (2) | 0.00050 (18) |
Br1 | 0.0506 (2) | 0.0458 (2) | 0.0787 (2) | −0.00077 (12) | 0.01838 (17) | −0.01020 (13) |
O1W | 0.099 (2) | 0.096 (2) | 0.109 (2) | 0.0179 (17) | 0.0042 (18) | −0.0335 (18) |
N1 | 0.0405 (12) | 0.0390 (12) | 0.0502 (11) | 0.0004 (9) | 0.0227 (10) | −0.0009 (9) |
N2 | 0.0508 (14) | 0.0370 (12) | 0.0683 (13) | 0.0033 (9) | 0.0325 (11) | −0.0024 (10) |
N3 | 0.0450 (12) | 0.0370 (11) | 0.0444 (11) | 0.0026 (9) | 0.0168 (9) | 0.0005 (9) |
N4 | 0.0388 (12) | 0.0544 (14) | 0.0536 (13) | 0.0033 (10) | 0.0112 (11) | 0.0010 (10) |
N5 | 0.0483 (13) | 0.0421 (12) | 0.0465 (11) | −0.0038 (10) | 0.0255 (10) | −0.0006 (9) |
N6 | 0.0603 (15) | 0.0592 (15) | 0.0490 (12) | −0.0095 (12) | 0.0278 (11) | 0.0090 (11) |
C1 | 0.0404 (14) | 0.0441 (14) | 0.0560 (14) | 0.0005 (11) | 0.0244 (12) | −0.0027 (12) |
C2 | 0.0385 (15) | 0.0564 (17) | 0.0677 (17) | 0.0003 (12) | 0.0185 (13) | −0.0103 (14) |
C3 | 0.0411 (15) | 0.0606 (18) | 0.0697 (17) | 0.0099 (13) | 0.0217 (13) | −0.0048 (14) |
C4 | 0.083 (3) | 0.0403 (18) | 0.130 (3) | 0.0009 (15) | 0.057 (3) | −0.0167 (17) |
C5 | 0.0403 (14) | 0.0454 (15) | 0.0463 (14) | 0.0014 (11) | 0.0143 (12) | 0.0047 (11) |
C6 | 0.0621 (18) | 0.0408 (15) | 0.0522 (15) | 0.0038 (13) | 0.0191 (14) | 0.0072 (12) |
C7 | 0.0588 (19) | 0.0551 (17) | 0.0480 (15) | 0.0161 (14) | 0.0104 (14) | 0.0064 (13) |
C8 | 0.056 (2) | 0.083 (3) | 0.082 (2) | −0.0173 (18) | 0.0011 (17) | −0.0009 (19) |
C9 | 0.0593 (17) | 0.0474 (16) | 0.0450 (13) | −0.0076 (12) | 0.0284 (12) | 0.0002 (11) |
C10 | 0.076 (2) | 0.0598 (18) | 0.0685 (18) | 0.0081 (16) | 0.0465 (17) | 0.0004 (15) |
C11 | 0.074 (2) | 0.080 (2) | 0.0643 (18) | 0.0034 (17) | 0.0493 (17) | 0.0025 (16) |
C12 | 0.121 (3) | 0.071 (2) | 0.082 (2) | −0.017 (2) | 0.056 (2) | 0.0216 (19) |
Co1—N3i | 2.174 (2) | N6—C12 | 1.466 (4) |
Co1—N3 | 2.174 (2) | C1—H1A | 0.9300 |
Co1—N5 | 2.182 (2) | C2—C3 | 1.359 (4) |
Co1—N5i | 2.182 (2) | C2—H2A | 0.9300 |
Co1—N1i | 2.207 (2) | C3—H3A | 0.9300 |
Co1—N1 | 2.207 (2) | C4—H4A | 0.9600 |
O1W—H1WA | 0.8544 | C4—H4B | 0.9600 |
O1W—H1WB | 0.8553 | C4—H4C | 0.9600 |
N1—C1 | 1.309 (3) | C5—H5A | 0.9300 |
N1—C2 | 1.381 (4) | C6—C7 | 1.359 (4) |
N2—C1 | 1.342 (3) | C6—H6A | 0.9300 |
N2—C3 | 1.359 (4) | C7—H7A | 0.9300 |
N2—C4 | 1.477 (4) | C8—H8A | 0.9600 |
N3—C5 | 1.322 (3) | C8—H8B | 0.9600 |
N3—C6 | 1.380 (3) | C8—H8C | 0.9600 |
N4—C5 | 1.351 (3) | C9—H9A | 0.9300 |
N4—C7 | 1.372 (4) | C10—C11 | 1.349 (4) |
N4—C8 | 1.458 (4) | C10—H10A | 0.9300 |
N5—C9 | 1.319 (4) | C11—H11A | 0.9300 |
N5—C10 | 1.384 (3) | C12—H12A | 0.9600 |
N6—C9 | 1.346 (3) | C12—H12B | 0.9600 |
N6—C11 | 1.362 (4) | C12—H12C | 0.9600 |
N3i—Co1—N3 | 180.0 | N2—C3—C2 | 106.5 (2) |
N3i—Co1—N5 | 91.93 (8) | N2—C3—H3A | 126.8 |
N3—Co1—N5 | 88.07 (8) | C2—C3—H3A | 126.8 |
N3i—Co1—N5i | 88.07 (8) | N2—C4—H4A | 109.5 |
N3—Co1—N5i | 91.93 (8) | N2—C4—H4B | 109.5 |
N5—Co1—N5i | 180.0 | H4A—C4—H4B | 109.5 |
N3i—Co1—N1i | 92.48 (8) | N2—C4—H4C | 109.5 |
N3—Co1—N1i | 87.52 (8) | H4A—C4—H4C | 109.5 |
N5—Co1—N1i | 90.57 (8) | H4B—C4—H4C | 109.5 |
N5i—Co1—N1i | 89.43 (8) | N3—C5—N4 | 111.9 (2) |
N3i—Co1—N1 | 87.52 (8) | N3—C5—H5A | 124.1 |
N3—Co1—N1 | 92.48 (8) | N4—C5—H5A | 124.1 |
N5—Co1—N1 | 89.43 (8) | C7—C6—N3 | 110.1 (3) |
N5i—Co1—N1 | 90.57 (8) | C7—C6—H6A | 125.0 |
N1i—Co1—N1 | 180.00 (11) | N3—C6—H6A | 125.0 |
H1WA—O1W—H1WB | 107.2 | C6—C7—N4 | 106.2 (2) |
C1—N1—C2 | 105.0 (2) | C6—C7—H7A | 126.9 |
C1—N1—Co1 | 129.22 (18) | N4—C7—H7A | 126.9 |
C2—N1—Co1 | 125.80 (17) | N4—C8—H8A | 109.5 |
C1—N2—C3 | 106.9 (2) | N4—C8—H8B | 109.5 |
C1—N2—C4 | 126.4 (2) | H8A—C8—H8B | 109.5 |
C3—N2—C4 | 126.7 (2) | N4—C8—H8C | 109.5 |
C5—N3—C6 | 105.0 (2) | H8A—C8—H8C | 109.5 |
C5—N3—Co1 | 128.35 (17) | H8B—C8—H8C | 109.5 |
C6—N3—Co1 | 126.31 (18) | N5—C9—N6 | 112.3 (2) |
C5—N4—C7 | 106.9 (2) | N5—C9—H9A | 123.8 |
C5—N4—C8 | 126.1 (3) | N6—C9—H9A | 123.8 |
C7—N4—C8 | 127.0 (3) | C11—C10—N5 | 110.7 (3) |
C9—N5—C10 | 103.9 (2) | C11—C10—H10A | 124.7 |
C9—N5—Co1 | 129.10 (17) | N5—C10—H10A | 124.7 |
C10—N5—Co1 | 126.8 (2) | C10—C11—N6 | 106.0 (2) |
C9—N6—C11 | 107.1 (2) | C10—C11—H11A | 127.0 |
C9—N6—C12 | 125.8 (3) | N6—C11—H11A | 127.0 |
C11—N6—C12 | 127.0 (2) | N6—C12—H12A | 109.5 |
N1—C1—N2 | 112.3 (2) | N6—C12—H12B | 109.5 |
N1—C1—H1A | 123.8 | H12A—C12—H12B | 109.5 |
N2—C1—H1A | 123.8 | N6—C12—H12C | 109.5 |
C3—C2—N1 | 109.4 (3) | H12A—C12—H12C | 109.5 |
C3—C2—H2A | 125.3 | H12B—C12—H12C | 109.5 |
N1—C2—H2A | 125.3 | ||
N3i—Co1—N1—C1 | −157.5 (2) | C3—N2—C1—N1 | 0.5 (3) |
N3—Co1—N1—C1 | 22.5 (2) | C4—N2—C1—N1 | −178.9 (3) |
N5—Co1—N1—C1 | 110.5 (2) | C1—N1—C2—C3 | 0.3 (3) |
N5i—Co1—N1—C1 | −69.5 (2) | Co1—N1—C2—C3 | 178.83 (19) |
N3i—Co1—N1—C2 | 24.3 (2) | C1—N2—C3—C2 | −0.3 (3) |
N3—Co1—N1—C2 | −155.7 (2) | C4—N2—C3—C2 | 179.1 (3) |
N5—Co1—N1—C2 | −67.7 (2) | N1—C2—C3—N2 | 0.0 (3) |
N5i—Co1—N1—C2 | 112.3 (2) | C6—N3—C5—N4 | −0.1 (3) |
N5—Co1—N3—C5 | −161.6 (2) | Co1—N3—C5—N4 | −173.74 (17) |
N5i—Co1—N3—C5 | 18.4 (2) | C7—N4—C5—N3 | 0.7 (3) |
N1i—Co1—N3—C5 | 107.7 (2) | C8—N4—C5—N3 | −177.7 (3) |
N1—Co1—N3—C5 | −72.3 (2) | C5—N3—C6—C7 | −0.5 (3) |
N5—Co1—N3—C6 | 26.0 (2) | Co1—N3—C6—C7 | 173.29 (18) |
N5i—Co1—N3—C6 | −154.0 (2) | N3—C6—C7—N4 | 0.9 (3) |
N1i—Co1—N3—C6 | −64.6 (2) | C5—N4—C7—C6 | −0.9 (3) |
N1—Co1—N3—C6 | 115.4 (2) | C8—N4—C7—C6 | 177.4 (3) |
N3i—Co1—N5—C9 | 78.8 (2) | C10—N5—C9—N6 | −0.1 (3) |
N3—Co1—N5—C9 | −101.2 (2) | Co1—N5—C9—N6 | 175.28 (18) |
N1i—Co1—N5—C9 | −13.7 (2) | C11—N6—C9—N5 | −0.3 (3) |
N1—Co1—N5—C9 | 166.3 (2) | C12—N6—C9—N5 | 177.0 (3) |
N3i—Co1—N5—C10 | −106.8 (2) | C9—N5—C10—C11 | 0.4 (4) |
N3—Co1—N5—C10 | 73.2 (2) | Co1—N5—C10—C11 | −175.1 (2) |
N1i—Co1—N5—C10 | 160.7 (2) | N5—C10—C11—N6 | −0.6 (4) |
N1—Co1—N5—C10 | −19.3 (2) | C9—N6—C11—C10 | 0.5 (4) |
C2—N1—C1—N2 | −0.4 (3) | C12—N6—C11—C10 | −176.8 (3) |
Co1—N1—C1—N2 | −178.95 (16) |
Symmetry code: (i) −x+1, −y+1, −z+1. |
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1WA···Br1ii | 0.85 | 2.57 | 3.371 (3) | 157 |
O1W—H1WB···Br1 | 0.86 | 2.51 | 3.338 (3) | 164 |
Symmetry code: (ii) −x+1, −y+2, −z+1. |
Experimental details
Crystal data | |
Chemical formula | [Co(C4H6N2)6]Br2·2H2O |
Mr | 747.41 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 298 |
a, b, c (Å) | 8.182 (2), 13.573 (2), 16.2340 (19) |
β (°) | 111.12 (4) |
V (Å3) | 1681.8 (7) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 2.93 |
Crystal size (mm) | 0.40 × 0.30 × 0.30 |
Data collection | |
Diffractometer | Bruker SMART CCD area-detector diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 2001) |
Tmin, Tmax | 0.363, 0.416 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 16985, 3294, 2710 |
Rint | 0.071 |
(sin θ/λ)max (Å−1) | 0.617 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.037, 0.103, 1.04 |
No. of reflections | 3294 |
No. of parameters | 187 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.86, −0.36 |
Computer programs: SMART (Bruker, 2001), SAINT (Bruker, 2001), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).
Co1—N3 | 2.174 (2) | Co1—N1 | 2.207 (2) |
Co1—N5 | 2.182 (2) | ||
N3i—Co1—N3 | 180.0 | N3—Co1—N1 | 92.48 (8) |
N3—Co1—N5 | 88.07 (8) | N5—Co1—N1 | 89.43 (8) |
N3—Co1—N5i | 91.93 (8) | N5i—Co1—N1 | 90.57 (8) |
N5—Co1—N5i | 180.0 | N1i—Co1—N1 | 180.00 (11) |
N3i—Co1—N1 | 87.52 (8) |
Symmetry code: (i) −x+1, −y+1, −z+1. |
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1WA···Br1ii | 0.85 | 2.57 | 3.371 (3) | 156.8 |
O1W—H1WB···Br1 | 0.86 | 2.51 | 3.338 (3) | 163.9 |
Symmetry code: (ii) −x+1, −y+2, −z+1. |
Acknowledgements
This work was supported by the National Natural Science Foundation of China (grant No. 20871039).
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.
Ionothermal synthesis of novel organic-inorganic hybrid materials are not accessible by traditional hydro- or solvothermal reactions (Rogers & Seddon, 2003, Xie et al., 2008, Lin et al., 2007). We report herein the crystal structure of the title compound.
The asymmetric unit of the title compound (Fig. 1) contains one-half of the centrosymmetric cation, one Br atom and one water molecule. The CoII atom lying on the inversion center of the centrosymmetric cation has a distorted octahedral geometry (Table 1). It is coordinated by six N atoms from six 1-methylimidazole ligands, where N3, N3i, N5 and N5i atoms comprise the equatorial plane, and the other two N atoms, N1 and N1i, occupy the axial positions [symmetry code: (i) 1 - x, 2 - y, 1 - z]. The Co-N bonds [average value = 2.1877 (2) Å] are longer than the Ni-N bonds [average value = 2.065 Å] in the reported Ni complex with the same ligand (Baca et al., 2005).
In the crystal structure, intra- and intermolecular O-H···Br hydrogen bonds (Table 2) link the pairs of uncoordinated water and bromide anions (Fig. 2), in which they may be effective in the stabilization of the structure.