Acta Cryst. (2007). E63, m2191 [ doi:10.1107/S1600536807034745 ]
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O)bis-(N,N'-diethylnicotinamide-N)zinc(II)The title compound, [Zn(C7H4ClO2)2(C10H14N2O)2(H2O)2], is a monomeric complex, where the ZnII ion resides on a centre of symmetry in an octahedral coordination environment comprising two pyridyl N, two carboxylate O and two water O atoms. There is an intramolecular hydrogen bond linking each water molecule with one carboxylate group.
In the synthesis of the complex, sodium p-chlorobenzoate was preapared firstly, for what 0.02 mole p-chlorobenzoic acid was reacted with aqueous solution (50 ml) of 0,02 mole sodium bicarbonate. In order to remove completely the carbon dioxide formed in the reaction, the solution was stirred with heating at 363 K for 1 h and allowed to cool at room temperature. In another beaker, an aqueous solution (25 ml) of diethylnicotinamide (0.02 mole) was added to an aqueous solution (25 ml) of zinc nitrate (0,01 mole) and the previously prepared solution of sodium p-chlorobenzoate was added. This final mixed solution was kept unperturbed for 3–5 days, to allow for crystallization. The crystals formed were filtered off, washed with cold water and dried at room temperature. Analysis found: C 52.49, H 5.00, N 7.26%; calculated for C34H40Cl2N4O8Zn: C 53.10, H 5.24, N 7.29%.
Water H atoms were located in difference maps and refined with isotropic displacement factors. Other H atoms were placed in geometrically idealized positions and refined constrained to ride on their parent atoms with distances in the range 0.93–0.97 Å and with Uiso(H) = 1.2Ueq(C), or 1.5Ueq(C) for methyl atoms.
Data collection: CrstalClear (Rigaku/MSC, 2005); cell refinement: CrstalClear; data reduction: CrstalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
![[Figure 1]](./bg2071fig1thm.gif)
| Fig. 1. The molecular sructure and atomic labelling scheme of the title compound. Hydrogen bonds are indicated by open dashed lines. Displacement ellipsoids are drawn at the 30% probability level.Unlabelled atoms are related to labelled atoms by -x, -y, -z. |
| [Zn(C7H4ClO2)2(C10H14N2O)2(H2O)2] | Z = 1 |
| Mr = 768.99 | F(000) = 400 |
| Triclinic, P1 | Dx = 1.389 Mg m−3 |
| Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71069 Å |
| a = 7.3570 (2) Å | Cell parameters from 25 reflections |
| b = 8.6887 (10) Å | θ = 2.5–30.5° |
| c = 15.9114 (10) Å | µ = 0.87 mm−1 |
| α = 85.047 (5)° | T = 296 K |
| β = 78.476 (5)° | Prism, yellow |
| γ = 67.321 (4)° | 0.35 × 0.20 × 0.10 mm |
| V = 919.49 (13) Å3 |
| Rigaku R-AXIS RAPID-S diffractometer | 5615 independent reflections |
| Radiation source: sealed X-ray tube | 3800 reflections with I > 2σ(I) |
| Graphite Monochromator | Rint = 0.073 |
| Detector resolution: 10.000 pixels mm-1 | θmax = 30.5°, θmin = 2.5° |
| ω scans | h = −10→10 |
| Absorption correction: multi-scan (Blessing, 1995) | k = −12→12 |
| Tmin = 0.812, Tmax = 0.917 | l = −22→22 |
| 27286 measured reflections |
| 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)] = 0.063 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.169 | w = 1/[σ2(Fo2) + (0.0647P)2 + 0.5887P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.02 | (Δ/σ)max < 0.001 |
| 5615 reflections | Δρmax = 0.85 e Å−3 |
| 234 parameters | Δρmin = −0.44 e Å−3 |
| 0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
| Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.029 (4) |
| [Zn(C7H4ClO2)2(C10H14N2O)2(H2O)2] | γ = 67.321 (4)° |
| Mr = 768.99 | V = 919.49 (13) Å3 |
| Triclinic, P1 | Z = 1 |
| a = 7.3570 (2) Å | Mo Kα radiation |
| b = 8.6887 (10) Å | µ = 0.87 mm−1 |
| c = 15.9114 (10) Å | T = 296 K |
| α = 85.047 (5)° | 0.35 × 0.20 × 0.10 mm |
| β = 78.476 (5)° |
| Rigaku R-AXIS RAPID-S diffractometer | 5615 independent reflections |
| Absorption correction: multi-scan (Blessing, 1995) | 3800 reflections with I > 2σ(I) |
| Tmin = 0.812, Tmax = 0.917 | Rint = 0.073 |
| 27286 measured reflections | θmax = 30.5° |
| R[F2 > 2σ(F2)] = 0.063 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.169 | Δρmax = 0.85 e Å−3 |
| S = 1.02 | Δρmin = −0.44 e Å−3 |
| 5615 reflections | Absolute structure: ? |
| 234 parameters | Flack parameter: ? |
| 0 restraints | Rogers parameter: ? |
| x | y | z | Uiso*/Ueq | ||
| Zn | 0.0000 | 0.0000 | 0.0000 | 0.04307 (17) | |
| Cl1 | 0.73554 (19) | 0.1583 (2) | −0.46678 (7) | 0.0998 (4) | |
| O1W | 0.2219 (3) | 0.0161 (3) | 0.06412 (16) | 0.0526 (5) | |
| H1A | 0.206 (6) | 0.113 (5) | 0.074 (2) | 0.057 (11)* | |
| H1B | 0.184 (8) | −0.030 (7) | 0.115 (3) | 0.112 (19)* | |
| O2 | 0.1110 (3) | 0.1211 (3) | −0.10540 (13) | 0.0477 (5) | |
| O3 | −0.0778 (3) | 0.1279 (3) | −0.20065 (15) | 0.0588 (6) | |
| O4 | 0.8388 (4) | −0.3286 (3) | −0.12444 (17) | 0.0645 (6) | |
| N1 | 0.2253 (4) | −0.2349 (3) | −0.05050 (16) | 0.0448 (5) | |
| N2 | 0.8313 (5) | −0.4147 (5) | −0.2505 (2) | 0.0748 (9) | |
| C1 | 0.0786 (4) | 0.1282 (4) | −0.18056 (19) | 0.0430 (6) | |
| C2 | 0.2437 (4) | 0.1359 (4) | −0.25251 (19) | 0.0437 (6) | |
| C3 | 0.4176 (5) | 0.1423 (4) | −0.2350 (2) | 0.0494 (7) | |
| H3 | 0.4325 | 0.1415 | −0.1783 | 0.059* | |
| C4 | 0.5694 (5) | 0.1500 (5) | −0.3001 (2) | 0.0570 (8) | |
| H4 | 0.6856 | 0.1547 | −0.2878 | 0.068* | |
| C5 | 0.5441 (5) | 0.1503 (5) | −0.3838 (2) | 0.0616 (9) | |
| C6 | 0.3747 (5) | 0.1419 (5) | −0.4034 (2) | 0.0617 (9) | |
| H6 | 0.3610 | 0.1416 | −0.4602 | 0.074* | |
| C7 | 0.2248 (5) | 0.1338 (4) | −0.3374 (2) | 0.0526 (7) | |
| H7 | 0.1100 | 0.1270 | −0.3500 | 0.063* | |
| C8 | 0.1959 (4) | −0.3783 (4) | −0.0406 (2) | 0.0477 (7) | |
| H8 | 0.0743 | −0.3778 | −0.0096 | 0.057* | |
| C9 | 0.3380 (5) | −0.5276 (4) | −0.0745 (2) | 0.0549 (8) | |
| H9 | 0.3129 | −0.6253 | −0.0661 | 0.066* | |
| C10 | 0.5181 (5) | −0.5280 (4) | −0.1210 (2) | 0.0530 (8) | |
| H10 | 0.6159 | −0.6261 | −0.1452 | 0.064* | |
| C11 | 0.5511 (4) | −0.3795 (4) | −0.13123 (19) | 0.0449 (6) | |
| C12 | 0.4022 (4) | −0.2380 (4) | −0.09404 (19) | 0.0454 (6) | |
| H12 | 0.4256 | −0.1394 | −0.0994 | 0.055* | |
| C13 | 0.7496 (5) | −0.3702 (4) | −0.1696 (2) | 0.0513 (7) | |
| C14 | 0.7386 (8) | −0.4727 (7) | −0.3088 (3) | 0.0960 (15) | |
| H14A | 0.8306 | −0.5810 | −0.3312 | 0.115* | |
| H14B | 0.6181 | −0.4854 | −0.2770 | 0.115* | |
| C15 | 0.6889 (14) | −0.3581 (12) | −0.3789 (6) | 0.203 (5) | |
| H15A | 0.6076 | −0.2485 | −0.3569 | 0.208* | |
| H15B | 0.6163 | −0.3932 | −0.4120 | 0.208* | |
| H15C | 0.8096 | −0.3560 | −0.4146 | 0.208* | |
| C16 | 1.0387 (7) | −0.4206 (6) | −0.2822 (3) | 0.0845 (13) | |
| H16A | 1.1175 | −0.4644 | −0.2373 | 0.101* | |
| H16B | 1.1008 | −0.4953 | −0.3307 | 0.101* | |
| C17 | 1.0383 (9) | −0.2539 (7) | −0.3086 (4) | 0.113 (2) | |
| H17A | 0.9436 | −0.2030 | −0.3461 | 0.170* | |
| H17B | 1.1696 | −0.2639 | −0.3380 | 0.170* | |
| H17C | 1.0015 | −0.1860 | −0.2587 | 0.170* |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Zn | 0.0364 (2) | 0.0470 (3) | 0.0430 (3) | −0.0135 (2) | −0.00279 (18) | −0.0062 (2) |
| Cl1 | 0.0809 (7) | 0.1576 (13) | 0.0650 (6) | −0.0628 (8) | 0.0159 (5) | −0.0051 (7) |
| O1W | 0.0482 (12) | 0.0575 (15) | 0.0573 (14) | −0.0236 (11) | −0.0112 (10) | −0.0056 (12) |
| O2 | 0.0464 (11) | 0.0523 (12) | 0.0432 (11) | −0.0187 (10) | −0.0041 (9) | −0.0039 (9) |
| O3 | 0.0438 (11) | 0.0772 (16) | 0.0568 (13) | −0.0241 (11) | −0.0124 (10) | 0.0062 (12) |
| O4 | 0.0546 (13) | 0.0773 (17) | 0.0705 (16) | −0.0328 (13) | −0.0093 (12) | −0.0138 (13) |
| N1 | 0.0382 (12) | 0.0461 (14) | 0.0473 (13) | −0.0146 (10) | −0.0026 (10) | −0.0045 (11) |
| N2 | 0.0625 (18) | 0.108 (3) | 0.0594 (18) | −0.0429 (19) | 0.0088 (14) | −0.0224 (18) |
| C1 | 0.0395 (13) | 0.0392 (14) | 0.0456 (15) | −0.0103 (11) | −0.0066 (11) | −0.0011 (12) |
| C2 | 0.0420 (14) | 0.0414 (15) | 0.0452 (15) | −0.0136 (12) | −0.0064 (11) | −0.0020 (12) |
| C3 | 0.0481 (16) | 0.0536 (18) | 0.0484 (16) | −0.0216 (14) | −0.0068 (13) | −0.0033 (13) |
| C4 | 0.0489 (17) | 0.067 (2) | 0.059 (2) | −0.0275 (16) | −0.0064 (14) | −0.0006 (16) |
| C5 | 0.0564 (19) | 0.076 (2) | 0.0484 (18) | −0.0264 (18) | 0.0024 (14) | −0.0033 (16) |
| C6 | 0.059 (2) | 0.078 (2) | 0.0448 (17) | −0.0238 (18) | −0.0065 (14) | −0.0005 (16) |
| C7 | 0.0481 (16) | 0.063 (2) | 0.0480 (17) | −0.0212 (15) | −0.0105 (13) | −0.0009 (14) |
| C8 | 0.0421 (15) | 0.0508 (17) | 0.0502 (16) | −0.0177 (13) | −0.0059 (12) | −0.0055 (13) |
| C9 | 0.0503 (17) | 0.0479 (17) | 0.067 (2) | −0.0197 (14) | −0.0063 (15) | −0.0078 (15) |
| C10 | 0.0450 (16) | 0.0480 (17) | 0.063 (2) | −0.0124 (13) | −0.0068 (14) | −0.0152 (15) |
| C11 | 0.0373 (13) | 0.0492 (16) | 0.0455 (15) | −0.0124 (12) | −0.0066 (11) | −0.0072 (13) |
| C12 | 0.0398 (14) | 0.0452 (15) | 0.0496 (16) | −0.0151 (12) | −0.0040 (12) | −0.0055 (12) |
| C13 | 0.0420 (15) | 0.0560 (18) | 0.0543 (18) | −0.0179 (14) | −0.0020 (13) | −0.0113 (14) |
| C14 | 0.093 (3) | 0.130 (4) | 0.069 (3) | −0.050 (3) | −0.002 (2) | −0.011 (3) |
| C15 | 0.155 (9) | 0.185 (12) | 0.152 (9) | −0.102 (9) | −0.100 (8) | 0.100 (9) |
| C16 | 0.067 (2) | 0.085 (3) | 0.093 (3) | −0.030 (2) | 0.017 (2) | −0.024 (2) |
| C17 | 0.120 (5) | 0.090 (4) | 0.117 (4) | −0.047 (3) | 0.025 (4) | −0.006 (3) |
| Zn—O2i | 2.097 (2) | C6—C7 | 1.381 (5) |
| Zn—O2 | 2.097 (2) | C6—H6 | 0.9300 |
| Zn—O1Wi | 2.143 (2) | C7—H7 | 0.9300 |
| Zn—O1W | 2.143 (2) | C8—C9 | 1.384 (4) |
| Zn—N1 | 2.168 (2) | C8—H8 | 0.9300 |
| Zn—N1i | 2.168 (2) | C9—C10 | 1.381 (5) |
| Cl1—C5 | 1.746 (4) | C9—H9 | 0.9300 |
| O1W—H1A | 0.83 (4) | C10—C11 | 1.393 (4) |
| O1W—H1B | 0.91 (4) | C10—H10 | 0.9300 |
| O2—C1 | 1.257 (3) | C11—C12 | 1.375 (4) |
| O3—C1 | 1.255 (4) | C11—C13 | 1.496 (4) |
| O4—C13 | 1.222 (4) | C12—H12 | 0.9300 |
| N1—C8 | 1.336 (4) | C14—C15 | 1.435 (11) |
| N1—C12 | 1.338 (4) | C14—H14A | 0.9700 |
| N2—C13 | 1.328 (4) | C14—H14B | 0.9700 |
| N2—C14 | 1.478 (6) | C15—H15A | 0.9600 |
| N2—C16 | 1.489 (5) | C15—H15B | 0.9600 |
| C1—C2 | 1.511 (4) | C15—H15C | 0.9600 |
| C2—C3 | 1.385 (4) | C16—C17 | 1.473 (7) |
| C2—C7 | 1.387 (4) | C16—H16A | 0.9700 |
| C3—C4 | 1.381 (4) | C16—H16B | 0.9700 |
| C3—H3 | 0.9300 | C17—H17A | 0.9600 |
| C4—C5 | 1.382 (5) | C17—H17B | 0.9600 |
| C4—H4 | 0.9300 | C17—H17C | 0.9600 |
| C5—C6 | 1.373 (5) | ||
| O2i—Zn—O2 | 180.0 | C6—C7—H7 | 119.7 |
| O2i—Zn—O1Wi | 87.86 (9) | C2—C7—H7 | 119.7 |
| O2—Zn—O1Wi | 92.14 (9) | N1—C8—C9 | 123.0 (3) |
| O2i—Zn—O1W | 92.14 (9) | N1—C8—H8 | 118.5 |
| O2—Zn—O1W | 87.86 (9) | C9—C8—H8 | 118.5 |
| O1Wi—Zn—O1W | 180.00 (11) | C10—C9—C8 | 118.5 (3) |
| O2i—Zn—N1 | 91.50 (9) | C10—C9—H9 | 120.8 |
| O2—Zn—N1 | 88.50 (9) | C8—C9—H9 | 120.8 |
| O1Wi—Zn—N1 | 93.59 (10) | C9—C10—C11 | 119.1 (3) |
| O1W—Zn—N1 | 86.41 (10) | C9—C10—H10 | 120.5 |
| O2i—Zn—N1i | 88.50 (9) | C11—C10—H10 | 120.5 |
| O2—Zn—N1i | 91.50 (9) | C12—C11—C10 | 118.3 (3) |
| O1Wi—Zn—N1i | 86.41 (10) | C12—C11—C13 | 117.8 (3) |
| O1W—Zn—N1i | 93.59 (10) | C10—C11—C13 | 123.4 (3) |
| N1—Zn—N1i | 180.00 (13) | N1—C12—C11 | 123.3 (3) |
| Zn—O1W—H1A | 114 (3) | N1—C12—H12 | 118.4 |
| Zn—O1W—H1B | 96 (3) | C11—C12—H12 | 118.4 |
| H1A—O1W—H1B | 108 (4) | O4—C13—N2 | 120.8 (3) |
| C1—O2—Zn | 126.4 (2) | O4—C13—C11 | 119.0 (3) |
| C8—N1—C12 | 117.8 (3) | N2—C13—C11 | 120.1 (3) |
| C8—N1—Zn | 123.0 (2) | C15—C14—N2 | 111.6 (6) |
| C12—N1—Zn | 119.1 (2) | C15—C14—H14A | 108.9 |
| C13—N2—C14 | 124.9 (3) | N2—C14—H14A | 108.9 |
| C13—N2—C16 | 117.6 (3) | C15—C14—H14B | 108.9 |
| C14—N2—C16 | 117.4 (3) | N2—C14—H14B | 108.9 |
| O3—C1—O2 | 125.6 (3) | H14A—C14—H14B | 107.7 |
| O3—C1—C2 | 117.6 (3) | C14—C15—H15A | 109.5 |
| O2—C1—C2 | 116.8 (3) | C14—C15—H15B | 109.5 |
| C3—C2—C7 | 118.8 (3) | H15A—C15—H15B | 109.5 |
| C3—C2—C1 | 120.7 (3) | C14—C15—H15C | 109.5 |
| C7—C2—C1 | 120.4 (3) | H15A—C15—H15C | 109.5 |
| C4—C3—C2 | 121.4 (3) | H15B—C15—H15C | 109.5 |
| C4—C3—H3 | 119.3 | C17—C16—N2 | 111.3 (4) |
| C2—C3—H3 | 119.3 | C17—C16—H16A | 109.4 |
| C3—C4—C5 | 118.2 (3) | N2—C16—H16A | 109.4 |
| C3—C4—H4 | 120.9 | C17—C16—H16B | 109.4 |
| C5—C4—H4 | 120.9 | N2—C16—H16B | 109.4 |
| C6—C5—C4 | 121.9 (3) | H16A—C16—H16B | 108.0 |
| C6—C5—Cl1 | 119.4 (3) | C16—C17—H17A | 109.5 |
| C4—C5—Cl1 | 118.7 (3) | C16—C17—H17B | 109.5 |
| C5—C6—C7 | 119.0 (3) | H17A—C17—H17B | 109.5 |
| C5—C6—H6 | 120.5 | C16—C17—H17C | 109.5 |
| C7—C6—H6 | 120.5 | H17A—C17—H17C | 109.5 |
| C6—C7—C2 | 120.7 (3) | H17B—C17—H17C | 109.5 |
| O1Wi—Zn—O2—C1 | −16.0 (2) | C3—C2—C7—C6 | −1.4 (5) |
| O1W—Zn—O2—C1 | 164.0 (2) | C1—C2—C7—C6 | 179.6 (3) |
| N1—Zn—O2—C1 | 77.5 (2) | C12—N1—C8—C9 | −1.2 (5) |
| N1i—Zn—O2—C1 | −102.5 (2) | Zn—N1—C8—C9 | 178.5 (2) |
| O2i—Zn—N1—C8 | 32.6 (2) | N1—C8—C9—C10 | −0.4 (5) |
| O2—Zn—N1—C8 | −147.4 (2) | C8—C9—C10—C11 | 0.8 (5) |
| O1W—Zn—N1—C8 | 124.6 (2) | C9—C10—C11—C12 | 0.2 (5) |
| O2i—Zn—N1—C12 | −147.8 (2) | C9—C10—C11—C13 | 171.2 (3) |
| O2—Zn—N1—C12 | 32.2 (2) | C8—N1—C12—C11 | 2.3 (4) |
| O1Wi—Zn—N1—C12 | 124.3 (2) | Zn—N1—C12—C11 | −177.4 (2) |
| O1W—Zn—N1—C12 | −55.7 (2) | C10—C11—C12—N1 | −1.8 (5) |
| Zn—O2—C1—O3 | 30.9 (4) | C13—C11—C12—N1 | −173.4 (3) |
| Zn—O2—C1—C2 | −148.4 (2) | C14—N2—C13—O4 | 177.6 (4) |
| O3—C1—C2—C3 | 177.8 (3) | C16—N2—C13—O4 | 3.2 (6) |
| O2—C1—C2—C3 | −2.9 (4) | C14—N2—C13—C11 | 1.0 (6) |
| O3—C1—C2—C7 | −3.2 (4) | C16—N2—C13—C11 | −173.4 (4) |
| O2—C1—C2—C7 | 176.1 (3) | C12—C11—C13—O4 | 57.2 (4) |
| C7—C2—C3—C4 | 1.3 (5) | C10—C11—C13—O4 | −113.9 (4) |
| C1—C2—C3—C4 | −179.8 (3) | C12—C11—C13—N2 | −126.1 (4) |
| C2—C3—C4—C5 | −0.3 (5) | C10—C11—C13—N2 | 62.8 (5) |
| C3—C4—C5—C6 | −0.6 (6) | C13—N2—C14—C15 | 114.2 (7) |
| C3—C4—C5—Cl1 | −179.5 (3) | C16—N2—C14—C15 | −70.5 (8) |
| C4—C5—C6—C7 | 0.4 (6) | C13—N2—C16—C17 | −82.4 (6) |
| Cl1—C5—C6—C7 | 179.3 (3) | C14—N2—C16—C17 | 102.7 (5) |
| C5—C6—C7—C2 | 0.6 (6) |
| Symmetry codes: (i) −x, −y, −z. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| O1W—H1B···O3i | 0.91 (5) | 1.75 (5) | 2.654 (4) | 168 (5) |
| Symmetry codes: (i) −x, −y, −z. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| O1W—H1B···O3i | 0.91 (5) | 1.75 (5) | 2.654 (4) | 168 (5) |
| Symmetry codes: (i) −x, −y, −z. |
The authors are indebted to the Department of Chemistry, Atatürk University, Erzurum, Turkey, for the use of the X-ray diffractometer purchased under grant No. 2003/219 of the University Research Fund.
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Zn(II)plays a key role in many biological processes and its interactions are a subject of considerable interest. The metal takes part in more than 300 metalloenzymes and many of its complexes have antimicrobial effect against bacteria, fungi and viruses (Szunyogová et al.; 2007). They are interesting both from a chemical point of view as due to their biological activity (Györyová et al., 1995). In particular, N,N'-Diethylnicotinamide (DENA) is an important respiratory stimulant (Bigoli et al., 1972). The structures of some complexes obtained from the reactions of transition metal(II) ions with DENA have been determined previously; (Bigoli et al., 1972; Hökelek et al., 1995; Hökelek & Necefoğlu, 1996, Hökelek & Necefoğlu, 1997).
On the other hand, the structure-function-coordination relationships of the arylcarboxylate ion in Zn(II) complexes of benzoic acid derivatives change depending on the nature and position of the substituted groups in the phenyl ring, the nature of the additional ligand molecule or solvent, and the pH and temperature of synthesis (Shnulin et al., 1981; Adiwidjaja et al., 1978). When pyridine and its derivatives are coordinated instead of water molecules, the structure is completely different (Catterick et al., 1974).
We report here the structure of the title compound, (I), a monomeric zinc complex combining both the chlorobenzoate and diethylnicotinamide ligands.
Fig. 1 shows an ellipsoid plot of (I). The Zn cation is located on a symmetry centre in a slightly distorted octahedral environment. The metal is coordinated by two O atoms from two equivalent carboxylate groups and two O atoms from two water molecules to form a distorted square-planar base (Table 1). Two pyridine N atoms from diethylnicotinamide (DENA) ligands (Table 1), complete the Jahn-Teller distorted octahedral coordination at a longer distance (Zn—N: 2.168 (2) Å), in good agreement with values reported for other octahedrally coordinated ZnII complexes [viz., Zn(DENA)2(NCS)2.2H2O, Zn—N: 2.171 (4) Å; Bigoli et al.,1973]. The carboxylate group is approximately coplanar with the attached benzene ring, the dihedral angle between both planes being 2.8 (3)°. The pyridine and benzene rings are planar, the maximum deviation from the least-squares planes being -0.0072 (10) Å for atom C10 and 0.0006 (1) Å for atom C2. There is an intramolecular hydrogen bond between O1w and the carboxyl O3 (Table 2).