metal-organic compounds
Pentaaqua(1H-benzimidazole-5,6-dicarboxylato-κN3)cobalt(II) pentahydrate
aCollege of Science, Guang Dong Ocean University, Zhanjiang 524088, People's Republic of China
*Correspondence e-mail: songwd60@126.com
In the title mononuclear complex, [Co(C9H4N2O4)(H2O)5]·5H2O, the CoII atom exhibits a distorted octahedral geometry involving an N atom of a 1H-benzimidazole-5,6-dicarboxylate ligand and five water O atoms. A supramolecular network is generated through intermolecular O—H⋯O hydrogen-bonding interactions involving the coordinated and uncoordinated water molecules and the carboxyl O atoms of the organic ligand. An intermolecular N—H⋯O hydrogen bond is also observed.
Related literature
For the crystal structures of related compounds, see: Gao et al. (2008); Lo et al. (2007); Yao et al. (2008).
Experimental
Crystal data
|
Refinement
|
Data collection: RAPID-AUTO (Rigaku, 1998); cell RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
Supporting information
10.1107/S1600536809019904/rz2326sup1.cif
contains datablocks I, global. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536809019904/rz2326Isup2.hkl
A mixture of cobalt chloride (1 mmol), 1H-benzimidazole-5,6-dicarboxylic acid (1 mmol), NaOH (1.5 mmol) and H2O (12 ml) was placed in a 23 ml Teflon reactor, heated to 433 K for three days and then cooled to room temperature at a rate of 10 K h-1. The crystals obtained were washed with water and dryed in air.
Carbon and nitrogen bound H atoms were placed at calculated positions and were treated as riding on the parent atoms, with C—H = 0.93 Å, N—H = 0.86 Å, and with Uiso(H) = 1.2 Ueq(C, N). The water H atoms were located in a difference map and were refined with distance restraints of O—H = 0.84 Å, H···H = 1.39 Å and with Uiso = 1.5 Ueq(O).
Data collection: RAPID-AUTO (Rigaku, 1998); cell
RAPID-AUTO (Rigaku, 1998); data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).Fig. 1. The structure of the title compound, showing the atomic numbering scheme. Non-H atoms are shown with 30% probability displacement ellipsoids. | |
Fig. 2. Packing diagram of the title compound viewed along the b axis. Intermolecular hydrogen bonds are shown as dashed lines. |
[Co(C9H4N2O4)(H2O)5]·5H2O | Z = 2 |
Mr = 443.23 | F(000) = 462 |
Triclinic, P1 | Dx = 1.618 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 6.8454 (14) Å | Cell parameters from 3600 reflections |
b = 11.480 (2) Å | θ = 1.4–28° |
c = 12.408 (3) Å | µ = 1.02 mm−1 |
α = 78.02 (3)° | T = 293 K |
β = 78.57 (3)° | Block, pink |
γ = 74.80 (3)° | 0.31 × 0.26 × 0.21 mm |
V = 909.7 (4) Å3 |
Rigaku/MSC Mercury CCD diffractometer | 3269 independent reflections |
Radiation source: fine-focus sealed tube | 2010 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.050 |
ω scans | θmax = 25.2°, θmin = 3.1° |
Absorption correction: multi-scan (REQAB; Jacobson, 1998) | h = −8→8 |
Tmin = 0.744, Tmax = 0.815 | k = −13→13 |
7307 measured reflections | l = −13→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)] = 0.048 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.148 | H-atom parameters constrained |
S = 1.19 | w = 1/[σ2(Fo2) + (0.025P)2 + 3.508P] where P = (Fo2 + 2Fc2)/3 |
3269 reflections | (Δ/σ)max < 0.001 |
235 parameters | Δρmax = 0.85 e Å−3 |
30 restraints | Δρmin = −1.00 e Å−3 |
[Co(C9H4N2O4)(H2O)5]·5H2O | γ = 74.80 (3)° |
Mr = 443.23 | V = 909.7 (4) Å3 |
Triclinic, P1 | Z = 2 |
a = 6.8454 (14) Å | Mo Kα radiation |
b = 11.480 (2) Å | µ = 1.02 mm−1 |
c = 12.408 (3) Å | T = 293 K |
α = 78.02 (3)° | 0.31 × 0.26 × 0.21 mm |
β = 78.57 (3)° |
Rigaku/MSC Mercury CCD diffractometer | 3269 independent reflections |
Absorption correction: multi-scan (REQAB; Jacobson, 1998) | 2010 reflections with I > 2σ(I) |
Tmin = 0.744, Tmax = 0.815 | Rint = 0.050 |
7307 measured reflections |
R[F2 > 2σ(F2)] = 0.048 | 30 restraints |
wR(F2) = 0.148 | H-atom parameters constrained |
S = 1.19 | Δρmax = 0.85 e Å−3 |
3269 reflections | Δρmin = −1.00 e Å−3 |
235 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 | ||
Co2 | 0.10067 (16) | 0.09663 (9) | 0.24088 (8) | 0.0301 (3) | |
O1 | −0.1942 (8) | 0.8137 (4) | 0.2444 (4) | 0.0386 (13) | |
O2 | −0.4507 (8) | 0.7825 (5) | 0.3797 (4) | 0.0417 (13) | |
O3 | 0.0523 (8) | 0.6536 (5) | 0.0471 (4) | 0.0420 (14) | |
O4 | −0.2859 (8) | 0.6922 (5) | 0.0637 (4) | 0.0431 (14) | |
N1 | −0.0099 (9) | 0.2334 (5) | 0.3409 (5) | 0.0292 (14) | |
N2 | −0.1506 (9) | 0.3081 (5) | 0.4971 (5) | 0.0351 (15) | |
H2 | −0.1939 | 0.3096 | 0.5668 | 0.042* | |
C1 | −0.2252 (10) | 0.6102 (6) | 0.3117 (6) | 0.0272 (15) | |
C2 | −0.1306 (10) | 0.5624 (6) | 0.2126 (6) | 0.0272 (16) | |
C3 | −0.0533 (11) | 0.4390 (6) | 0.2134 (6) | 0.0292 (16) | |
H3 | 0.0095 | 0.4084 | 0.1481 | 0.035* | |
C4 | −0.0722 (10) | 0.3611 (6) | 0.3154 (6) | 0.0259 (15) | |
C5 | −0.1612 (11) | 0.4083 (6) | 0.4130 (5) | 0.0257 (15) | |
C6 | −0.2406 (11) | 0.5323 (6) | 0.4127 (6) | 0.0328 (17) | |
H6 | −0.3025 | 0.5623 | 0.4784 | 0.039* | |
C7 | −0.2974 (11) | 0.7460 (7) | 0.3101 (6) | 0.0323 (17) | |
C8 | −0.1215 (11) | 0.6451 (6) | 0.0995 (6) | 0.0311 (17) | |
C9 | −0.0613 (11) | 0.2089 (6) | 0.4507 (6) | 0.0320 (17) | |
H9 | −0.0373 | 0.1301 | 0.4913 | 0.038* | |
O1W | −0.1050 (7) | 0.1798 (4) | 0.1266 (4) | 0.0365 (12) | |
H1W | −0.0713 | 0.2310 | 0.0718 | 0.055* | |
H2W | −0.1628 | 0.1323 | 0.1082 | 0.055* | |
O2W | 0.3202 (7) | 0.1855 (4) | 0.1370 (4) | 0.0351 (12) | |
H4W | 0.3630 | 0.2256 | 0.1731 | 0.053* | |
H3W | 0.2982 | 0.2251 | 0.0739 | 0.053* | |
O3W | 0.2255 (9) | −0.0454 (5) | 0.1511 (5) | 0.0526 (16) | |
H5W | 0.2351 | −0.1196 | 0.1787 | 0.079* | |
H6W | 0.2442 | −0.0342 | 0.0811 | 0.079* | |
O4W | −0.1232 (8) | 0.0001 (4) | 0.3351 (4) | 0.0370 (12) | |
H7W | −0.2302 | 0.0564 | 0.3368 | 0.056* | |
H8W | −0.1389 | −0.0575 | 0.3079 | 0.056* | |
O5W | 0.2965 (8) | 0.0074 (4) | 0.3565 (4) | 0.0393 (13) | |
H9W | 0.3548 | 0.0620 | 0.3604 | 0.059* | |
H10W | 0.3815 | −0.0593 | 0.3500 | 0.059* | |
O6W | 0.6987 (8) | 0.0165 (5) | 0.0785 (4) | 0.0404 (13) | |
H12W | 0.7395 | −0.0481 | 0.1221 | 0.061* | |
H11W | 0.5769 | 0.0507 | 0.1004 | 0.061* | |
O7W | 0.5026 (8) | 0.1541 (5) | 0.4139 (5) | 0.0472 (14) | |
H13W | 0.5043 | 0.2127 | 0.3607 | 0.071* | |
H14W | 0.4695 | 0.1786 | 0.4757 | 0.071* | |
O8W | 0.5118 (8) | 0.3188 (5) | 0.2216 (5) | 0.0501 (15) | |
H15W | 0.6299 | 0.2925 | 0.1884 | 0.075* | |
H16W | 0.4733 | 0.3952 | 0.2051 | 0.075* | |
O9W | 0.4165 (9) | 0.5583 (5) | 0.1328 (5) | 0.0547 (16) | |
H17W | 0.5089 | 0.5965 | 0.1059 | 0.082* | |
H18W | 0.3098 | 0.5902 | 0.1038 | 0.082* | |
O10W | 0.2113 (8) | 0.7246 (5) | 0.2679 (4) | 0.0452 (14) | |
H20W | 0.0877 | 0.7635 | 0.2566 | 0.068* | |
H19W | 0.2901 | 0.7741 | 0.2624 | 0.068* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co2 | 0.0367 (6) | 0.0223 (5) | 0.0290 (5) | −0.0043 (4) | −0.0046 (4) | −0.0024 (4) |
O1 | 0.047 (3) | 0.024 (3) | 0.040 (3) | −0.007 (2) | −0.002 (3) | −0.001 (2) |
O2 | 0.049 (3) | 0.027 (3) | 0.041 (3) | 0.002 (3) | 0.000 (3) | −0.007 (2) |
O3 | 0.039 (3) | 0.044 (3) | 0.033 (3) | −0.008 (3) | −0.001 (2) | 0.009 (3) |
O4 | 0.037 (3) | 0.049 (3) | 0.038 (3) | −0.010 (3) | −0.014 (2) | 0.011 (3) |
N1 | 0.038 (3) | 0.022 (3) | 0.025 (3) | −0.003 (3) | −0.005 (3) | −0.002 (3) |
N2 | 0.049 (4) | 0.029 (3) | 0.020 (3) | −0.004 (3) | 0.000 (3) | 0.000 (3) |
C1 | 0.032 (4) | 0.014 (3) | 0.033 (4) | 0.000 (3) | −0.006 (3) | −0.004 (3) |
C2 | 0.033 (4) | 0.018 (4) | 0.029 (4) | −0.006 (3) | −0.011 (3) | 0.004 (3) |
C3 | 0.040 (4) | 0.025 (4) | 0.023 (4) | −0.006 (3) | −0.006 (3) | −0.005 (3) |
C4 | 0.032 (4) | 0.009 (3) | 0.032 (4) | 0.002 (3) | −0.003 (3) | −0.003 (3) |
C5 | 0.042 (4) | 0.017 (3) | 0.016 (3) | −0.004 (3) | −0.004 (3) | 0.000 (3) |
C6 | 0.044 (4) | 0.028 (4) | 0.026 (4) | −0.008 (3) | −0.003 (3) | −0.008 (3) |
C7 | 0.034 (4) | 0.026 (4) | 0.034 (4) | 0.001 (3) | −0.010 (3) | −0.002 (3) |
C8 | 0.037 (4) | 0.026 (4) | 0.033 (4) | −0.008 (3) | −0.008 (3) | −0.006 (3) |
C9 | 0.042 (4) | 0.018 (4) | 0.030 (4) | 0.000 (3) | −0.004 (3) | 0.000 (3) |
O1W | 0.042 (3) | 0.032 (3) | 0.035 (3) | −0.011 (2) | −0.007 (2) | 0.002 (2) |
O2W | 0.042 (3) | 0.034 (3) | 0.030 (3) | −0.013 (2) | −0.008 (2) | 0.002 (2) |
O3W | 0.080 (4) | 0.029 (3) | 0.042 (3) | −0.007 (3) | 0.004 (3) | −0.009 (3) |
O4W | 0.047 (3) | 0.025 (3) | 0.039 (3) | −0.009 (2) | −0.005 (2) | −0.006 (2) |
O5W | 0.043 (3) | 0.021 (3) | 0.050 (3) | 0.004 (2) | −0.014 (3) | −0.006 (2) |
O6W | 0.038 (3) | 0.034 (3) | 0.043 (3) | 0.002 (2) | −0.007 (2) | −0.005 (3) |
O7W | 0.055 (4) | 0.045 (3) | 0.042 (3) | −0.006 (3) | −0.007 (3) | −0.013 (3) |
O8W | 0.050 (3) | 0.039 (3) | 0.061 (4) | −0.008 (3) | −0.012 (3) | −0.006 (3) |
O9W | 0.044 (3) | 0.045 (4) | 0.070 (4) | −0.010 (3) | −0.009 (3) | 0.001 (3) |
O10W | 0.049 (3) | 0.048 (4) | 0.040 (3) | −0.015 (3) | −0.010 (3) | −0.001 (3) |
Co2—O3W | 2.068 (5) | C5—C6 | 1.384 (9) |
Co2—O5W | 2.082 (5) | C6—H6 | 0.9300 |
Co2—N1 | 2.096 (6) | C9—H9 | 0.9300 |
Co2—O1W | 2.104 (5) | O1W—H1W | 0.8400 |
Co2—O2W | 2.109 (5) | O1W—H2W | 0.8401 |
Co2—O4W | 2.141 (5) | O2W—H4W | 0.8400 |
O1—C7 | 1.250 (8) | O2W—H3W | 0.8400 |
O2—C7 | 1.259 (9) | O3W—H5W | 0.8400 |
O3—C8 | 1.255 (8) | O3W—H6W | 0.8400 |
O4—C8 | 1.239 (8) | O4W—H7W | 0.8401 |
N1—C9 | 1.328 (9) | O4W—H8W | 0.8401 |
N1—C4 | 1.401 (8) | O5W—H9W | 0.8400 |
N2—C9 | 1.330 (9) | O5W—H10W | 0.8400 |
N2—C5 | 1.380 (8) | O6W—H12W | 0.8400 |
N2—H2 | 0.8600 | O6W—H11W | 0.8400 |
C1—C6 | 1.383 (9) | O7W—H13W | 0.8400 |
C1—C2 | 1.419 (10) | O7W—H14W | 0.8400 |
C1—C7 | 1.503 (9) | O8W—H15W | 0.8400 |
C2—C3 | 1.376 (9) | O8W—H16W | 0.8400 |
C2—C8 | 1.522 (9) | O9W—H17W | 0.8400 |
C3—C4 | 1.394 (9) | O9W—H18W | 0.8400 |
C3—H3 | 0.9300 | O10W—H20W | 0.8708 |
C4—C5 | 1.392 (9) | O10W—H19W | 0.8660 |
O3W—Co2—O5W | 88.5 (2) | N2—C5—C4 | 105.4 (6) |
O3W—Co2—N1 | 175.5 (2) | C6—C5—C4 | 122.0 (6) |
O5W—Co2—N1 | 87.0 (2) | C1—C6—C5 | 117.9 (6) |
O3W—Co2—O1W | 90.5 (2) | C1—C6—H6 | 121.0 |
O5W—Co2—O1W | 177.2 (2) | C5—C6—H6 | 121.0 |
N1—Co2—O1W | 94.1 (2) | O1—C7—O2 | 124.7 (7) |
O3W—Co2—O2W | 86.2 (2) | O1—C7—C1 | 117.8 (6) |
O5W—Co2—O2W | 93.4 (2) | O2—C7—C1 | 117.3 (6) |
N1—Co2—O2W | 94.0 (2) | O4—C8—O3 | 125.3 (7) |
O1W—Co2—O2W | 89.15 (19) | O4—C8—C2 | 117.0 (6) |
O3W—Co2—O4W | 90.0 (2) | O3—C8—C2 | 117.5 (6) |
O5W—Co2—O4W | 89.0 (2) | N1—C9—N2 | 113.4 (6) |
N1—Co2—O4W | 90.0 (2) | N1—C9—H9 | 123.3 |
O1W—Co2—O4W | 88.33 (19) | N2—C9—H9 | 123.3 |
O2W—Co2—O4W | 175.4 (2) | Co2—O1W—H1W | 119.1 |
C9—N1—C4 | 104.2 (6) | Co2—O1W—H2W | 115.2 |
C9—N1—Co2 | 122.8 (5) | H1W—O1W—H2W | 111.5 |
C4—N1—Co2 | 132.5 (4) | Co2—O2W—H4W | 110.6 |
C9—N2—C5 | 107.7 (6) | Co2—O2W—H3W | 120.7 |
C9—N2—H2 | 126.2 | H4W—O2W—H3W | 111.6 |
C5—N2—H2 | 126.2 | Co2—O3W—H5W | 123.9 |
C6—C1—C2 | 120.1 (6) | Co2—O3W—H6W | 122.3 |
C6—C1—C7 | 119.0 (6) | H5W—O3W—H6W | 112.1 |
C2—C1—C7 | 120.8 (6) | Co2—O4W—H7W | 101.5 |
C3—C2—C1 | 121.6 (6) | Co2—O4W—H8W | 116.2 |
C3—C2—C8 | 117.0 (6) | H7W—O4W—H8W | 110.5 |
C1—C2—C8 | 121.3 (6) | Co2—O5W—H9W | 102.5 |
C2—C3—C4 | 117.8 (6) | Co2—O5W—H10W | 123.2 |
C2—C3—H3 | 121.1 | H9W—O5W—H10W | 111.2 |
C4—C3—H3 | 121.1 | H12W—O6W—H11W | 111.4 |
C5—C4—C3 | 120.5 (6) | H13W—O7W—H14W | 111.5 |
C5—C4—N1 | 109.3 (6) | H15W—O8W—H16W | 111.6 |
C3—C4—N1 | 130.2 (6) | H17W—O9W—H18W | 111.6 |
N2—C5—C6 | 132.6 (6) | H20W—O10W—H19W | 112.0 |
D—H···A | D—H | H···A | D···A | D—H···A |
N2—H2···O10Wi | 0.86 | 1.99 | 2.822 (8) | 162 |
O1W—H1W···O3ii | 0.84 | 1.78 | 2.603 (7) | 169 |
O1W—H2W···O6Wiii | 0.84 | 1.95 | 2.789 (9) | 175 |
O2W—H4W···O8W | 0.84 | 1.90 | 2.726 (9) | 165 |
O2W—H3W···O4ii | 0.84 | 1.78 | 2.614 (7) | 173 |
O3W—H5W···O10Wiv | 0.84 | 1.93 | 2.752 (8) | 167 |
O3W—H6W···O6Wv | 0.84 | 1.92 | 2.758 (8) | 177 |
O4W—H7W···O7Wiii | 0.84 | 2.05 | 2.827 (7) | 154 |
O4W—H8W···O1iv | 0.84 | 1.96 | 2.801 (8) | 176 |
O5W—H9W···O7W | 0.84 | 1.92 | 2.734 (9) | 162 |
O5W—H10W···O2vi | 0.84 | 1.88 | 2.700 (7) | 164 |
O6W—H12W···O1vi | 0.84 | 1.98 | 2.812 (6) | 171 |
O6W—H11W···O2W | 0.84 | 2.06 | 2.865 (6) | 161 |
O7W—H13W···O8W | 0.84 | 1.89 | 2.721 (8) | 168 |
O7W—H14W···O2i | 0.84 | 1.91 | 2.737 (8) | 168 |
O8W—H15W···O1Wvii | 0.84 | 2.05 | 2.860 (7) | 163 |
O8W—H16W···O9W | 0.84 | 1.88 | 2.699 (7) | 166 |
O9W—H17W···O4vii | 0.84 | 1.93 | 2.766 (9) | 172 |
O9W—H18W···O3 | 0.84 | 1.93 | 2.771 (8) | 175 |
O10W—H20W···O1 | 0.87 | 1.89 | 2.747 (7) | 168 |
O10W—H19W···O2vii | 0.87 | 2.54 | 3.191 (9) | 133 |
Symmetry codes: (i) −x, −y+1, −z+1; (ii) −x, −y+1, −z; (iii) x−1, y, z; (iv) x, y−1, z; (v) −x+1, −y, −z; (vi) x+1, y−1, z; (vii) x+1, y, z. |
Experimental details
Crystal data | |
Chemical formula | [Co(C9H4N2O4)(H2O)5]·5H2O |
Mr | 443.23 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 293 |
a, b, c (Å) | 6.8454 (14), 11.480 (2), 12.408 (3) |
α, β, γ (°) | 78.02 (3), 78.57 (3), 74.80 (3) |
V (Å3) | 909.7 (4) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 1.02 |
Crystal size (mm) | 0.31 × 0.26 × 0.21 |
Data collection | |
Diffractometer | Rigaku/MSC Mercury CCD diffractometer |
Absorption correction | Multi-scan (REQAB; Jacobson, 1998) |
Tmin, Tmax | 0.744, 0.815 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 7307, 3269, 2010 |
Rint | 0.050 |
(sin θ/λ)max (Å−1) | 0.599 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.048, 0.148, 1.19 |
No. of reflections | 3269 |
No. of parameters | 235 |
No. of restraints | 30 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.85, −1.00 |
Computer programs: RAPID-AUTO (Rigaku, 1998), CrystalStructure (Rigaku/MSC, 2002), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEPII (Johnson, 1976).
D—H···A | D—H | H···A | D···A | D—H···A |
N2—H2···O10Wi | 0.86 | 1.99 | 2.822 (8) | 162.0 |
O1W—H1W···O3ii | 0.84 | 1.78 | 2.603 (7) | 168.6 |
O1W—H2W···O6Wiii | 0.84 | 1.95 | 2.789 (9) | 175.3 |
O2W—H4W···O8W | 0.84 | 1.90 | 2.726 (9) | 165.2 |
O2W—H3W···O4ii | 0.84 | 1.78 | 2.614 (7) | 172.7 |
O3W—H5W···O10Wiv | 0.84 | 1.93 | 2.752 (8) | 167.2 |
O3W—H6W···O6Wv | 0.84 | 1.92 | 2.758 (8) | 176.6 |
O4W—H7W···O7Wiii | 0.84 | 2.05 | 2.827 (7) | 154.0 |
O4W—H8W···O1iv | 0.84 | 1.96 | 2.801 (8) | 176.3 |
O5W—H9W···O7W | 0.84 | 1.92 | 2.734 (9) | 161.9 |
O5W—H10W···O2vi | 0.84 | 1.88 | 2.700 (7) | 163.6 |
O6W—H12W···O1vi | 0.84 | 1.98 | 2.812 (6) | 170.6 |
O6W—H11W···O2W | 0.84 | 2.06 | 2.865 (6) | 160.6 |
O7W—H13W···O8W | 0.84 | 1.89 | 2.721 (8) | 167.5 |
O7W—H14W···O2i | 0.84 | 1.91 | 2.737 (8) | 168.2 |
O8W—H15W···O1Wvii | 0.84 | 2.05 | 2.860 (7) | 163.0 |
O8W—H16W···O9W | 0.84 | 1.88 | 2.699 (7) | 165.9 |
O9W—H17W···O4vii | 0.84 | 1.93 | 2.766 (9) | 172.0 |
O9W—H18W···O3 | 0.84 | 1.93 | 2.771 (8) | 174.8 |
O10W—H20W···O1 | 0.874 | 1.89 | 2.747 (7) | 167.8 |
O10W—H19W···O2vii | 0.87 | 2.54 | 3.191 (9) | 132.8 |
Symmetry codes: (i) −x, −y+1, −z+1; (ii) −x, −y+1, −z; (iii) x−1, y, z; (iv) x, y−1, z; (v) −x+1, −y, −z; (vi) x+1, y−1, z; (vii) x+1, y, z. |
Acknowledgements
The authors acknowledge Guang Dong Ocean University for support of this work.
References
Gao, Q., Gao, W.-H., Zhang, C.-Y. & Xie, Y.-B. (2008). Acta Cryst. E64, m928. Web of Science CrossRef IUCr Journals Google Scholar
Jacobson, R. (1998). REQAB. Molecular Structure Corporation, The Woodlands, Texas, USA. Google Scholar
Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA. Google Scholar
Lo, Y.-L., Wang, W.-C., Lee, G.-A. & Liu, Y.-H. (2007). Acta Cryst. E63, m2657–m2658. Web of Science CSD CrossRef IUCr Journals Google Scholar
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan. Google Scholar
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC, The Woodlands, Texas, USA. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Yao, Y. L., Che, Y. X. & Zheng, J. M. (2008). Cryst. Growth Des. 8, 2299–2306. Web of Science CSD CrossRef CAS Google Scholar
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.
In the structural investigation of 1H-benzimidazole-5,6-dicarboxylate complexes, it has been found that the 1H-benzimidazole-5,6-dicarboxylic acid can function as a multidentate ligand (Gao et al., 2008; Lo et al., 2007; Yao et al., 2008), with versatile binding and coordination modes. In this paper, we report the crystal structure of the title compound, a new cobalt(II) complex obtained by the reaction of the 1H-benzimidazole-5,6-dicarboxylic acid and cobalt chloride in alkaline aqueous solution.
As illustrated in Figure 1, the cobalt(II) atom is six-coordinated by one N atom from a 1H-benzimidazole-5,6-dicarboxylate ligand and five O atoms from five water molecules, displaying a distorted octahedral geometry. The O1/O2/C7 and O3/O4/C8 carboxylate groups are tilted with respect to the plane of the benzimidazole ring system by 36.0 (3) and 68.1 (2)°, respectively. Intermolecular O—H···O hydrogen bonding interactions (Table 1) form a three-dimensional supramolecular network involving the coordinated and uncoordinated water molecules as donors and the carboxylate O atoms of the organic ligand as acceptors (Fig. 2). An intermolecular N—H···O hydrogen bond is also observed.