Acta Cryst. (2008). E64, m522 [ doi:10.1107/S1600536808005722 ]
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N3)bis(4-methylbenzoato-2O,O')cobalt(II)In the title mononuclear complex, [Co(C8H7O2)2(C7H6N2)2], the CoII atom is coordinated by four carboxylate O atoms from two 4-methylbenzoate ligands and two N atoms from two benzimidazole ligands in an octahedral coordination geometry. The molecules are assembled via intermolecular N-H
O hydrogen-bonding interactions into a three-dimensional network.
A mixture of cobalt chloride(1 mmol), 4-methylbenzoic acid (1 mmol), benzimidazole(1 mmol), NaOH (1.5 mmol) and H2O (12 ml) was placed in a 23 ml Teflon reactor, which was 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.
H atoms were placed at calculated positions and were treated as riding on the parent C atoms with C—H = 0.93 - 0.97 Å, N—H = 0.86 Å, and with Uiso(H) = 1.2 Ueq(C, N).
Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTLXP (Sheldrick, 2008); software used to prepare material for publication: SHELXTLXP (Sheldrick, 2008).
![[Figure 1]](./ng2407fig1thm.gif)
| Fig. 1. The structure of (I), showing the atomic numbering scheme. Non-H atoms are shown with 30% probability displacement ellipsoids. |
![[Figure 2]](./ng2407fig2thm.gif)
| Fig. 2. A packing view of the title compound. The intermolecluar hydrogen bonds are shown as dashed lines. |
| [Co(C8H7O2)2(C7H6N2)2] | F000 = 1172 |
| Mr = 565.48 | Dx = 1.331 Mg m−3 |
| Monoclinic, P21/n | Mo Kα radiation λ = 0.71073 Å |
| Hall symbol: -P 2yn | Cell parameters from 3500 reflections |
| a = 13.3209 (4) Å | θ = 1.4–28.0º |
| b = 14.5129 (4) Å | µ = 0.65 mm−1 |
| c = 15.2656 (4) Å | T = 296 (2) K |
| β = 107.020 (1)º | Block, colorless |
| V = 2821.97 (14) Å3 | 0.35 × 0.32 × 0.26 mm |
| Z = 4 |
| Bruker APEXII area-detector diffractometer | 6400 independent reflections |
| Radiation source: fine-focus sealed tube | 4431 reflections with I > 2σ(I) |
| Monochromator: graphite | Rint = 0.062 |
| T = 296(2) K | θmax = 27.5º |
| φ and ω scan | θmin = 2.0º |
| Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −17→17 |
| Tmin = 0.805, Tmax = 0.849 | k = −18→18 |
| 36127 measured reflections | l = −19→19 |
| Refinement on F2 | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| R[F2 > 2σ(F2)] = 0.050 | H-atom parameters constrained |
| wR(F2) = 0.125 | w = 1/[σ2(Fo2) + (0.0376P)2 + 3.4284P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.05 | (Δ/σ)max = 0.001 |
| 6400 reflections | Δρmax = 0.60 e Å−3 |
| 354 parameters | Δρmin = −0.33 e Å−3 |
| Primary atom site location: structure-invariant direct methods | Extinction correction: none |
| [Co(C8H7O2)2(C7H6N2)2] | V = 2821.97 (14) Å3 |
| Mr = 565.48 | Z = 4 |
| Monoclinic, P21/n | Mo Kα |
| a = 13.3209 (4) Å | µ = 0.65 mm−1 |
| b = 14.5129 (4) Å | T = 296 (2) K |
| c = 15.2656 (4) Å | 0.35 × 0.32 × 0.26 mm |
| β = 107.020 (1)º |
| Bruker APEXII area-detector diffractometer | 6400 independent reflections |
| Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 4431 reflections with I > 2σ(I) |
| Tmin = 0.805, Tmax = 0.849 | Rint = 0.062 |
| 36127 measured reflections |
| R[F2 > 2σ(F2)] = 0.050 | 354 parameters |
| wR(F2) = 0.125 | H-atom parameters constrained |
| S = 1.05 | Δρmax = 0.60 e Å−3 |
| 6400 reflections | Δρmin = −0.33 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 | ||
| C1 | 0.8899 (2) | 0.68421 (19) | 0.14187 (19) | 0.0312 (6) | |
| C2 | 0.9812 (2) | 0.69664 (19) | 0.10609 (19) | 0.0330 (6) | |
| C3 | 1.0312 (3) | 0.7819 (2) | 0.1119 (2) | 0.0445 (8) | |
| H3 | 1.0065 | 0.8321 | 0.1373 | 0.053* | |
| C4 | 1.1174 (3) | 0.7916 (2) | 0.0798 (3) | 0.0531 (9) | |
| H4 | 1.1504 | 0.8486 | 0.0845 | 0.064* | |
| C5 | 1.1560 (3) | 0.7186 (2) | 0.0409 (2) | 0.0443 (8) | |
| C6 | 1.1059 (3) | 0.6346 (2) | 0.0354 (2) | 0.0462 (8) | |
| H6 | 1.1310 | 0.5845 | 0.0102 | 0.055* | |
| C7 | 1.0195 (3) | 0.6235 (2) | 0.0665 (2) | 0.0403 (7) | |
| H7 | 0.9864 | 0.5665 | 0.0609 | 0.048* | |
| C8 | 1.2497 (3) | 0.7308 (3) | 0.0059 (3) | 0.0640 (11) | |
| H8A | 1.2699 | 0.6722 | −0.0126 | 0.096* | |
| H8B | 1.3070 | 0.7561 | 0.0536 | 0.096* | |
| H8C | 1.2320 | 0.7720 | −0.0456 | 0.096* | |
| C9 | 0.7811 (2) | 0.58438 (18) | 0.3444 (2) | 0.0301 (6) | |
| C10 | 0.7966 (2) | 0.52426 (18) | 0.42681 (19) | 0.0318 (6) | |
| C11 | 0.7287 (3) | 0.4538 (2) | 0.4289 (2) | 0.0462 (8) | |
| H11 | 0.6711 | 0.4430 | 0.3781 | 0.055* | |
| C12 | 0.7449 (3) | 0.3984 (2) | 0.5059 (2) | 0.0538 (10) | |
| H12 | 0.6978 | 0.3511 | 0.5061 | 0.065* | |
| C13 | 0.8299 (3) | 0.4123 (2) | 0.5826 (2) | 0.0414 (7) | |
| C14 | 0.8973 (3) | 0.4815 (3) | 0.5790 (2) | 0.0566 (10) | |
| H14 | 0.9557 | 0.4916 | 0.6292 | 0.068* | |
| C15 | 0.8818 (3) | 0.5371 (2) | 0.5031 (2) | 0.0543 (10) | |
| H15 | 0.9294 | 0.5841 | 0.5033 | 0.065* | |
| C16 | 0.8501 (3) | 0.3510 (3) | 0.6659 (2) | 0.0603 (10) | |
| H16A | 0.9244 | 0.3438 | 0.6930 | 0.090* | |
| H16B | 0.8188 | 0.2917 | 0.6481 | 0.090* | |
| H16C | 0.8199 | 0.3784 | 0.7096 | 0.090* | |
| C17 | 0.6908 (2) | 0.87357 (19) | 0.2698 (2) | 0.0348 (7) | |
| H17 | 0.7554 | 0.8953 | 0.2669 | 0.042* | |
| C18 | 0.5341 (2) | 0.8715 (2) | 0.2899 (2) | 0.0372 (7) | |
| C19 | 0.5603 (2) | 0.7845 (2) | 0.2655 (2) | 0.0356 (7) | |
| C20 | 0.4904 (3) | 0.7117 (2) | 0.2553 (3) | 0.0589 (10) | |
| H20 | 0.5074 | 0.6532 | 0.2392 | 0.071* | |
| C21 | 0.3955 (4) | 0.7290 (3) | 0.2696 (4) | 0.0806 (15) | |
| H21 | 0.3471 | 0.6813 | 0.2628 | 0.097* | |
| C22 | 0.3697 (3) | 0.8165 (3) | 0.2944 (3) | 0.0742 (13) | |
| H22 | 0.3048 | 0.8256 | 0.3044 | 0.089* | |
| C23 | 0.4375 (3) | 0.8892 (3) | 0.3041 (3) | 0.0550 (10) | |
| H23 | 0.4198 | 0.9478 | 0.3196 | 0.066* | |
| C24 | 0.5534 (3) | 0.7473 (2) | 0.0435 (2) | 0.0411 (8) | |
| H24 | 0.5471 | 0.7972 | 0.0797 | 0.049* | |
| C25 | 0.5272 (2) | 0.6580 (2) | −0.0758 (2) | 0.0368 (7) | |
| C26 | 0.4969 (3) | 0.6177 (2) | −0.1616 (2) | 0.0509 (9) | |
| H26 | 0.4460 | 0.6443 | −0.2103 | 0.061* | |
| C27 | 0.5453 (4) | 0.5368 (3) | −0.1715 (3) | 0.0814 (16) | |
| H27 | 0.5275 | 0.5077 | −0.2282 | 0.098* | |
| C28 | 0.6212 (4) | 0.4971 (3) | −0.0973 (3) | 0.0939 (19) | |
| H28 | 0.6522 | 0.4419 | −0.1061 | 0.113* | |
| C29 | 0.6513 (3) | 0.5373 (2) | −0.0118 (3) | 0.0689 (13) | |
| H29 | 0.7010 | 0.5099 | 0.0371 | 0.083* | |
| C30 | 0.6042 (2) | 0.6207 (2) | −0.0017 (2) | 0.0381 (7) | |
| Co1 | 0.73145 (3) | 0.68195 (2) | 0.20032 (3) | 0.02980 (12) | |
| N1 | 0.61978 (19) | 0.67861 (16) | 0.07391 (16) | 0.0346 (6) | |
| N2 | 0.4965 (2) | 0.73853 (18) | −0.04404 (17) | 0.0387 (6) | |
| H2 | 0.4494 | 0.7762 | −0.0747 | 0.046* | |
| N3 | 0.65969 (19) | 0.78738 (15) | 0.25232 (16) | 0.0326 (5) | |
| N4 | 0.6196 (2) | 0.92647 (16) | 0.29238 (17) | 0.0377 (6) | |
| H4A | 0.6260 | 0.9841 | 0.3059 | 0.045* | |
| O1 | 0.85066 (16) | 0.75360 (13) | 0.17053 (14) | 0.0347 (5) | |
| O2 | 0.85031 (16) | 0.60520 (13) | 0.14347 (14) | 0.0359 (5) | |
| O3 | 0.70607 (16) | 0.56763 (13) | 0.27254 (13) | 0.0340 (5) | |
| O4 | 0.84150 (16) | 0.65163 (13) | 0.34567 (13) | 0.0368 (5) |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| C1 | 0.0313 (15) | 0.0250 (13) | 0.0310 (14) | 0.0020 (12) | −0.0005 (12) | 0.0031 (12) |
| C2 | 0.0346 (16) | 0.0307 (15) | 0.0292 (14) | 0.0034 (12) | 0.0023 (12) | 0.0058 (12) |
| C3 | 0.050 (2) | 0.0316 (16) | 0.055 (2) | −0.0030 (15) | 0.0202 (17) | −0.0036 (15) |
| C4 | 0.054 (2) | 0.0427 (19) | 0.064 (2) | −0.0119 (17) | 0.0201 (19) | 0.0022 (17) |
| C5 | 0.0439 (19) | 0.0492 (19) | 0.0397 (18) | 0.0022 (16) | 0.0121 (15) | 0.0085 (15) |
| C6 | 0.053 (2) | 0.0419 (18) | 0.046 (2) | 0.0054 (16) | 0.0173 (17) | 0.0019 (15) |
| C7 | 0.0444 (19) | 0.0323 (16) | 0.0425 (18) | −0.0010 (14) | 0.0103 (15) | 0.0012 (14) |
| C8 | 0.064 (3) | 0.071 (3) | 0.066 (3) | −0.006 (2) | 0.032 (2) | 0.007 (2) |
| C9 | 0.0304 (15) | 0.0238 (13) | 0.0333 (15) | −0.0010 (12) | 0.0050 (12) | −0.0068 (12) |
| C10 | 0.0366 (17) | 0.0252 (14) | 0.0302 (15) | 0.0003 (12) | 0.0047 (13) | −0.0019 (12) |
| C11 | 0.048 (2) | 0.0497 (19) | 0.0348 (17) | −0.0165 (16) | 0.0026 (15) | −0.0002 (15) |
| C12 | 0.063 (2) | 0.053 (2) | 0.0426 (19) | −0.0238 (18) | 0.0107 (18) | 0.0033 (17) |
| C13 | 0.0453 (19) | 0.0419 (17) | 0.0364 (17) | 0.0000 (15) | 0.0112 (15) | 0.0043 (14) |
| C14 | 0.059 (2) | 0.055 (2) | 0.0392 (19) | −0.0156 (19) | −0.0111 (17) | 0.0093 (17) |
| C15 | 0.054 (2) | 0.047 (2) | 0.045 (2) | −0.0251 (17) | −0.0123 (17) | 0.0124 (16) |
| C16 | 0.075 (3) | 0.064 (2) | 0.041 (2) | −0.006 (2) | 0.0161 (19) | 0.0134 (18) |
| C17 | 0.0373 (17) | 0.0269 (14) | 0.0374 (16) | −0.0011 (13) | 0.0066 (14) | 0.0012 (12) |
| C18 | 0.0403 (18) | 0.0321 (16) | 0.0371 (17) | 0.0006 (13) | 0.0080 (14) | −0.0054 (13) |
| C19 | 0.0363 (17) | 0.0309 (15) | 0.0372 (16) | −0.0009 (13) | 0.0070 (14) | −0.0039 (13) |
| C20 | 0.060 (2) | 0.0373 (18) | 0.085 (3) | −0.0164 (17) | 0.030 (2) | −0.0177 (19) |
| C21 | 0.062 (3) | 0.062 (3) | 0.132 (4) | −0.028 (2) | 0.050 (3) | −0.028 (3) |
| C22 | 0.054 (3) | 0.074 (3) | 0.106 (4) | −0.012 (2) | 0.041 (3) | −0.025 (3) |
| C23 | 0.047 (2) | 0.050 (2) | 0.067 (2) | 0.0048 (17) | 0.0159 (19) | −0.0165 (18) |
| C24 | 0.0419 (19) | 0.0420 (17) | 0.0359 (17) | 0.0160 (15) | 0.0057 (14) | 0.0024 (14) |
| C25 | 0.0305 (16) | 0.0295 (15) | 0.0418 (17) | −0.0006 (12) | −0.0029 (14) | 0.0042 (13) |
| C26 | 0.054 (2) | 0.0337 (17) | 0.0445 (19) | 0.0019 (16) | −0.0171 (16) | 0.0004 (15) |
| C27 | 0.110 (4) | 0.041 (2) | 0.057 (2) | 0.020 (2) | −0.032 (2) | −0.0226 (19) |
| C28 | 0.120 (4) | 0.043 (2) | 0.073 (3) | 0.042 (2) | −0.042 (3) | −0.027 (2) |
| C29 | 0.079 (3) | 0.0350 (18) | 0.060 (2) | 0.0212 (19) | −0.031 (2) | −0.0129 (17) |
| C30 | 0.0364 (17) | 0.0276 (14) | 0.0386 (17) | −0.0007 (13) | −0.0071 (14) | −0.0009 (13) |
| Co1 | 0.0307 (2) | 0.02232 (18) | 0.0311 (2) | 0.00253 (17) | 0.00082 (16) | −0.00087 (16) |
| N1 | 0.0317 (13) | 0.0303 (12) | 0.0337 (13) | 0.0065 (11) | −0.0030 (11) | 0.0002 (11) |
| N2 | 0.0334 (15) | 0.0429 (15) | 0.0342 (14) | 0.0135 (12) | 0.0008 (11) | 0.0033 (12) |
| N3 | 0.0365 (14) | 0.0233 (11) | 0.0354 (13) | −0.0015 (10) | 0.0065 (11) | −0.0023 (10) |
| N4 | 0.0419 (15) | 0.0210 (12) | 0.0471 (16) | 0.0001 (11) | 0.0083 (12) | −0.0047 (11) |
| O1 | 0.0374 (12) | 0.0251 (10) | 0.0383 (11) | 0.0017 (9) | 0.0062 (9) | 0.0001 (9) |
| O2 | 0.0367 (12) | 0.0245 (10) | 0.0426 (12) | 0.0000 (9) | 0.0054 (10) | 0.0026 (9) |
| O3 | 0.0352 (12) | 0.0277 (10) | 0.0308 (11) | −0.0015 (9) | −0.0033 (9) | −0.0016 (8) |
| O4 | 0.0385 (12) | 0.0314 (10) | 0.0323 (11) | −0.0073 (9) | −0.0027 (9) | 0.0016 (9) |
| C1—O2 | 1.265 (3) | C17—H17 | 0.9300 |
| C1—O1 | 1.270 (3) | C18—N4 | 1.382 (4) |
| C1—C2 | 1.482 (4) | C18—C19 | 1.390 (4) |
| C2—C7 | 1.391 (4) | C18—C23 | 1.390 (5) |
| C2—C3 | 1.395 (4) | C19—C20 | 1.387 (4) |
| C3—C4 | 1.381 (5) | C19—N3 | 1.397 (4) |
| C3—H3 | 0.9300 | C20—C21 | 1.367 (5) |
| C4—C5 | 1.385 (5) | C20—H20 | 0.9300 |
| C4—H4 | 0.9300 | C21—C22 | 1.397 (6) |
| C5—C6 | 1.381 (5) | C21—H21 | 0.9300 |
| C5—C8 | 1.505 (5) | C22—C23 | 1.369 (5) |
| C6—C7 | 1.376 (4) | C22—H22 | 0.9300 |
| C6—H6 | 0.9300 | C23—H23 | 0.9300 |
| C7—H7 | 0.9300 | C24—N1 | 1.323 (4) |
| C8—H8A | 0.9600 | C24—N2 | 1.335 (4) |
| C8—H8B | 0.9600 | C24—H24 | 0.9300 |
| C8—H8C | 0.9600 | C25—N2 | 1.372 (4) |
| C9—O4 | 1.262 (3) | C25—C26 | 1.383 (4) |
| C9—O3 | 1.273 (3) | C25—C30 | 1.395 (4) |
| C9—C10 | 1.494 (4) | C26—C27 | 1.369 (5) |
| C10—C11 | 1.373 (4) | C26—H26 | 0.9300 |
| C10—C15 | 1.380 (4) | C27—C28 | 1.402 (5) |
| C11—C12 | 1.389 (5) | C27—H27 | 0.9300 |
| C11—H11 | 0.9300 | C28—C29 | 1.378 (5) |
| C12—C13 | 1.384 (5) | C28—H28 | 0.9300 |
| C12—H12 | 0.9300 | C29—C30 | 1.391 (4) |
| C13—C14 | 1.359 (5) | C29—H29 | 0.9300 |
| C13—C16 | 1.511 (4) | C30—N1 | 1.394 (4) |
| C14—C15 | 1.377 (5) | Co1—O1 | 2.057 (2) |
| C14—H14 | 0.9300 | Co1—N1 | 2.064 (2) |
| C15—H15 | 0.9300 | Co1—O3 | 2.074 (2) |
| C16—H16A | 0.9600 | Co1—N3 | 2.081 (2) |
| C16—H16B | 0.9600 | Co1—O2 | 2.303 (2) |
| C16—H16C | 0.9600 | Co1—O4 | 2.316 (2) |
| C17—N3 | 1.320 (4) | N2—H2 | 0.8600 |
| C17—N4 | 1.341 (4) | N4—H4A | 0.8600 |
| O2—C1—O1 | 119.7 (3) | C21—C20—H20 | 121.2 |
| O2—C1—C2 | 120.6 (3) | C19—C20—H20 | 121.2 |
| O1—C1—C2 | 119.7 (2) | C20—C21—C22 | 121.5 (4) |
| C7—C2—C3 | 118.3 (3) | C20—C21—H21 | 119.2 |
| C7—C2—C1 | 120.8 (3) | C22—C21—H21 | 119.2 |
| C3—C2—C1 | 120.8 (3) | C23—C22—C21 | 121.6 (4) |
| C4—C3—C2 | 120.0 (3) | C23—C22—H22 | 119.2 |
| C4—C3—H3 | 120.0 | C21—C22—H22 | 119.2 |
| C2—C3—H3 | 120.0 | C22—C23—C18 | 116.9 (3) |
| C3—C4—C5 | 121.7 (3) | C22—C23—H23 | 121.6 |
| C3—C4—H4 | 119.2 | C18—C23—H23 | 121.6 |
| C5—C4—H4 | 119.2 | N1—C24—N2 | 113.9 (3) |
| C6—C5—C4 | 117.9 (3) | N1—C24—H24 | 123.0 |
| C6—C5—C8 | 121.3 (3) | N2—C24—H24 | 123.0 |
| C4—C5—C8 | 120.8 (3) | N2—C25—C26 | 131.3 (3) |
| C7—C6—C5 | 121.4 (3) | N2—C25—C30 | 105.6 (3) |
| C7—C6—H6 | 119.3 | C26—C25—C30 | 123.1 (3) |
| C5—C6—H6 | 119.3 | C27—C26—C25 | 116.8 (3) |
| C6—C7—C2 | 120.7 (3) | C27—C26—H26 | 121.6 |
| C6—C7—H7 | 119.6 | C25—C26—H26 | 121.6 |
| C2—C7—H7 | 119.6 | C26—C27—C28 | 121.0 (3) |
| C5—C8—H8A | 109.5 | C26—C27—H27 | 119.5 |
| C5—C8—H8B | 109.5 | C28—C27—H27 | 119.5 |
| H8A—C8—H8B | 109.5 | C29—C28—C27 | 122.2 (4) |
| C5—C8—H8C | 109.5 | C29—C28—H28 | 118.9 |
| H8A—C8—H8C | 109.5 | C27—C28—H28 | 118.9 |
| H8B—C8—H8C | 109.5 | C28—C29—C30 | 117.2 (3) |
| O4—C9—O3 | 119.8 (3) | C28—C29—H29 | 121.4 |
| O4—C9—C10 | 120.6 (3) | C30—C29—H29 | 121.4 |
| O3—C9—C10 | 119.7 (2) | C29—C30—C25 | 119.8 (3) |
| C11—C10—C15 | 117.8 (3) | C29—C30—N1 | 130.8 (3) |
| C11—C10—C9 | 121.6 (3) | C25—C30—N1 | 109.4 (3) |
| C15—C10—C9 | 120.6 (3) | O1—Co1—N1 | 101.36 (9) |
| C10—C11—C12 | 120.7 (3) | O1—Co1—O3 | 141.11 (8) |
| C10—C11—H11 | 119.6 | N1—Co1—O3 | 107.06 (9) |
| C12—C11—H11 | 119.6 | O1—Co1—N3 | 100.55 (9) |
| C13—C12—C11 | 121.2 (3) | N1—Co1—N3 | 95.05 (10) |
| C13—C12—H12 | 119.4 | O3—Co1—N3 | 102.76 (9) |
| C11—C12—H12 | 119.4 | O1—Co1—O2 | 60.06 (7) |
| C14—C13—C12 | 117.4 (3) | N1—Co1—O2 | 91.33 (9) |
| C14—C13—C16 | 120.8 (3) | O3—Co1—O2 | 92.89 (7) |
| C12—C13—C16 | 121.7 (3) | N3—Co1—O2 | 160.49 (8) |
| C13—C14—C15 | 121.9 (3) | O1—Co1—O4 | 89.70 (8) |
| C13—C14—H14 | 119.0 | N1—Co1—O4 | 166.53 (9) |
| C15—C14—H14 | 119.0 | O3—Co1—O4 | 59.64 (7) |
| C14—C15—C10 | 121.0 (3) | N3—Co1—O4 | 90.39 (9) |
| C14—C15—H15 | 119.5 | O2—Co1—O4 | 87.53 (7) |
| C10—C15—H15 | 119.5 | C24—N1—C30 | 104.0 (2) |
| C13—C16—H16A | 109.5 | C24—N1—Co1 | 122.4 (2) |
| C13—C16—H16B | 109.5 | C30—N1—Co1 | 132.88 (19) |
| H16A—C16—H16B | 109.5 | C24—N2—C25 | 107.1 (2) |
| C13—C16—H16C | 109.5 | C24—N2—H2 | 126.5 |
| H16A—C16—H16C | 109.5 | C25—N2—H2 | 126.5 |
| H16B—C16—H16C | 109.5 | C17—N3—C19 | 104.7 (2) |
| N3—C17—N4 | 113.0 (3) | C17—N3—Co1 | 128.5 (2) |
| N3—C17—H17 | 123.5 | C19—N3—Co1 | 126.41 (19) |
| N4—C17—H17 | 123.5 | C17—N4—C18 | 107.6 (2) |
| N4—C18—C19 | 105.2 (3) | C17—N4—H4A | 126.2 |
| N4—C18—C23 | 133.0 (3) | C18—N4—H4A | 126.2 |
| C19—C18—C23 | 121.8 (3) | C1—O1—Co1 | 95.61 (17) |
| C18—C19—C20 | 120.6 (3) | C1—O2—Co1 | 84.59 (16) |
| C18—C19—N3 | 109.5 (3) | C9—O3—Co1 | 95.55 (17) |
| C20—C19—N3 | 129.8 (3) | C9—O4—Co1 | 84.87 (16) |
| C21—C20—C19 | 117.6 (3) |
| D—H···A | D—H | H···A | D···A | D—H···A |
| N2—H2···O4i | 0.86 | 1.90 | 2.757 (3) | 173 |
| N4—H4A···O2ii | 0.86 | 1.91 | 2.760 (3) | 170 |
| Symmetry codes: (i) x−1/2, −y+3/2, z−1/2; (ii) −x+3/2, y+1/2, −z+1/2. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| N2—H2···O4i | 0.86 | 1.90 | 2.757 (3) | 173 |
| N4—H4A···O2ii | 0.86 | 1.91 | 2.760 (3) | 170 |
| Symmetry codes: (i) x−1/2, −y+3/2, z−1/2; (ii) −x+3/2, y+1/2, −z+1/2. |
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Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.
Song, W.-D., Gu, C.-S., Hao, X.-M. & Liu, J.-W. (2007). Acta Cryst. E63, m1023–m1024.
In the structural investigation of 4-methylbenzate complexes, it has been found that the 4-methylbenzoic acid functions as a multidentate ligand [Song et al. (2007)], with versatile binding and coordination modes. In this paper, we report the crystal structure of the title compound, (I), a new Co complex obtained by the reaction of 4-methylbenzoic acid, benzimidazole and cadmium chloride in alkaline aqueous solution.
As illustrated in Figure 1, the CoII atom exists in a disordered octahedral environment, defined by four carboxyl O atoms from two bisdentate 4-methylbenzate ligands and two N atoms from two benzimidazole ligands. Intermolecular N—H···O hydrogen bonding interactions (Table 1) between the benzimidazole molecules and the carboxyl O atoms of 4-methylbenzate ligands form the structural motif exhibiting non-filled voids. (Fig. 2).