Acta Cryst. (2007). E63, m1519 [ doi:10.1107/S1600536807020041 ]
In the ionic title compound, [Ni(H2O)6](C8H6NO5)2·5H2O, the [Co(H2O)6]2+ cation, (4-nitrophenoxy)acetate anions and water molecules engage in O-H
O hydrogen bonding, generating a three-dimensional hydrogen-bonded network.
4-nitrophenoxy acetic acid was prepared by nucleophilic reaction of chloroacetic acid and 4-nitrophenol under basic conditions. (Mirci, 1990). Nickel nitrate hexahydrate (0.582 g, 2 mmol) and 4-nitrophenoxy acetic acid (0.394 g, 2 mmol) were dissolved in water and the pH was adjusted to 6 with 0.01M sodium hydroxide; green crystals separated from the filtered solution after several days.
H atoms bound to C atoms were placed in calculated positions and treated as riding on their parent atoms, withwith C—H = 0.93 Å (aromatic C) or C—H = 0.93 Å (methylene C), and with Uiso(H) = 1.2Ueq(C). Water H atoms were initially located in a difference Fourier map but they were treated as riding on their parent atoms with O—H = 0.85 Å and with Uiso(H) = 1.5Ueq(O).
Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXL97.
Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXL97.
![[Figure 1]](./ng2257fig1thm.gif)
| Fig. 1. The molecular structure of (I), showing displacement ellipsoids at the 30% probability level for non-H atoms. Dashed lines indicate the intermolecular O—H···O hydrogen bonding interactions. |
| [Ni(H2O)6](C8H6NO5)2·5H2O | Z = 2 |
| Mr = 649.14 | F(000) = 680 |
| Triclinic, P1 | Dx = 1.586 Mg m−3 |
| Hall symbol: -p 1 | Mo Kα radiation, λ = 0.71073 Å |
| a = 7.0096 (14) Å | Cell parameters from 10904 reflections |
| b = 10.661 (2) Å | θ = 6.2–55.0° |
| c = 18.313 (4) Å | µ = 0.81 mm−1 |
| α = 87.89 (3)° | T = 293 K |
| β = 87.83 (3)° | Block, green |
| γ = 84.17 (3)° | 0.38 × 0.21 × 0.19 mm |
| V = 1359.7 (5) Å3 |
| Rigaku R-AXIS RAPID diffractometer | 5939 independent reflections |
| Radiation source: fine-focus sealed tube | 4930 reflections with I > 2σ(I) |
| graphite | Rint = 0.030 |
| ω scans | θmax = 27.5°, θmin = 3.1° |
| Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | h = −9→8 |
| Tmin = 0.751, Tmax = 0.864 | k = −13→13 |
| 12966 measured reflections | l = −23→23 |
| 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)] = 0.038 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.130 | H-atom parameters constrained |
| S = 1.14 | w = 1/[σ2(Fo2) + (0.0599P)2 + 1.1083P] where P = (Fo2 + 2Fc2)/3 |
| 5939 reflections | (Δ/σ)max = 0.001 |
| 361 parameters | Δρmax = 0.44 e Å−3 |
| 0 restraints | Δρmin = −0.36 e Å−3 |
| [Ni(H2O)6](C8H6NO5)2·5H2O | γ = 84.17 (3)° |
| Mr = 649.14 | V = 1359.7 (5) Å3 |
| Triclinic, P1 | Z = 2 |
| a = 7.0096 (14) Å | Mo Kα radiation |
| b = 10.661 (2) Å | µ = 0.81 mm−1 |
| c = 18.313 (4) Å | T = 293 K |
| α = 87.89 (3)° | 0.38 × 0.21 × 0.19 mm |
| β = 87.83 (3)° |
| Rigaku R-AXIS RAPID diffractometer | 5939 independent reflections |
| Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | 4930 reflections with I > 2σ(I) |
| Tmin = 0.751, Tmax = 0.864 | Rint = 0.030 |
| 12966 measured reflections | θmax = 27.5° |
| R[F2 > 2σ(F2)] = 0.038 | H-atom parameters constrained |
| wR(F2) = 0.130 | Δρmax = 0.44 e Å−3 |
| S = 1.14 | Δρmin = −0.36 e Å−3 |
| 5939 reflections | Absolute structure: ? |
| 361 parameters | Flack parameter: ? |
| 0 restraints | Rogers parameter: ? |
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 | 0.3512 (4) | 0.7403 (3) | −0.02246 (15) | 0.0366 (6) | |
| C2 | 0.3458 (5) | 0.6281 (3) | 0.01720 (16) | 0.0386 (7) | |
| H1 | 0.3237 | 0.5549 | −0.0059 | 0.046* | |
| C3 | 0.3733 (4) | 0.6255 (3) | 0.09147 (15) | 0.0351 (6) | |
| H2 | 0.3701 | 0.5505 | 0.1189 | 0.042* | |
| C4 | 0.4058 (4) | 0.7355 (3) | 0.12483 (14) | 0.0298 (5) | |
| C5 | 0.4065 (4) | 0.8493 (3) | 0.08428 (16) | 0.0364 (6) | |
| H3 | 0.4245 | 0.9234 | 0.1073 | 0.044* | |
| C6 | 0.3803 (4) | 0.8511 (3) | 0.01020 (16) | 0.0388 (7) | |
| H4 | 0.3821 | 0.9259 | −0.0175 | 0.047* | |
| C7 | 0.4567 (4) | 0.6321 (2) | 0.24160 (14) | 0.0305 (6) | |
| H5 | 0.5515 | 0.5711 | 0.2194 | 0.037* | |
| H6 | 0.3357 | 0.5954 | 0.2467 | 0.037* | |
| C8 | 0.5208 (4) | 0.6657 (2) | 0.31593 (14) | 0.0283 (5) | |
| C9 | 0.8907 (4) | 0.7552 (3) | 0.07108 (15) | 0.0330 (6) | |
| C10 | 0.8987 (4) | 0.6425 (3) | 0.11133 (17) | 0.0383 (6) | |
| H7 | 0.8835 | 0.5674 | 0.0890 | 0.046* | |
| C11 | 0.9297 (4) | 0.6437 (3) | 0.18487 (16) | 0.0363 (6) | |
| H8 | 0.9351 | 0.5689 | 0.2128 | 0.044* | |
| C12 | 0.9529 (4) | 0.7571 (3) | 0.21773 (14) | 0.0299 (5) | |
| C13 | 0.9400 (4) | 0.8693 (3) | 0.17696 (15) | 0.0346 (6) | |
| H9 | 0.9511 | 0.9451 | 0.1992 | 0.041* | |
| C14 | 0.9106 (4) | 0.8677 (3) | 0.10312 (16) | 0.0361 (6) | |
| H10 | 0.9043 | 0.9423 | 0.0750 | 0.043* | |
| C15 | 1.0254 (4) | 0.8571 (3) | 0.32586 (14) | 0.0315 (6) | |
| H11 | 0.9097 | 0.9153 | 0.3267 | 0.038* | |
| H12 | 1.1259 | 0.8982 | 0.2997 | 0.038* | |
| C16 | 1.0844 (4) | 0.8230 (3) | 0.40322 (14) | 0.0286 (5) | |
| N1 | 0.3258 (5) | 0.7421 (3) | −0.10114 (15) | 0.0526 (7) | |
| N2 | 0.8634 (4) | 0.7544 (3) | −0.00673 (14) | 0.0424 (6) | |
| Ni1 | 0.43587 (5) | 0.23562 (3) | 0.447639 (17) | 0.02541 (11) | |
| O1 | 0.5651 (3) | 0.57280 (19) | 0.35882 (11) | 0.0368 (5) | |
| O2 | 0.5224 (4) | 0.77804 (19) | 0.33005 (11) | 0.0419 (5) | |
| O3 | 0.4351 (3) | 0.74521 (19) | 0.19680 (11) | 0.0375 (5) | |
| O4 | 0.2948 (6) | 0.6455 (3) | −0.12972 (15) | 0.0807 (10) | |
| O5 | 0.3377 (6) | 0.8428 (3) | −0.13473 (15) | 0.0918 (12) | |
| O6 | 1.0903 (3) | 0.71016 (18) | 0.42585 (10) | 0.0336 (4) | |
| O7 | 1.1241 (3) | 0.91283 (19) | 0.43944 (11) | 0.0385 (5) | |
| O8 | 0.9915 (3) | 0.74599 (19) | 0.28957 (10) | 0.0362 (5) | |
| O9 | 0.8414 (5) | 0.6555 (3) | −0.03502 (14) | 0.0660 (8) | |
| O10 | 0.8628 (4) | 0.8548 (3) | −0.04213 (13) | 0.0611 (7) | |
| O11 | 0.4960 (3) | 0.32888 (18) | 0.34959 (10) | 0.0319 (4) | |
| H13 | 0.5356 | 0.4016 | 0.3504 | 0.048* | |
| H14 | 0.4044 | 0.3402 | 0.3202 | 0.048* | |
| O12 | 0.6910 (3) | 0.11685 (18) | 0.43716 (10) | 0.0333 (4) | |
| H15 | 0.7593 | 0.1223 | 0.3980 | 0.050* | |
| H16 | 0.7595 | 0.1067 | 0.4747 | 0.050* | |
| O13 | 0.3710 (3) | 0.14336 (18) | 0.54341 (10) | 0.0345 (4) | |
| H17 | 0.4062 | 0.1693 | 0.5836 | 0.052* | |
| H18 | 0.3631 | 0.0644 | 0.5483 | 0.052* | |
| O14 | 0.1887 (3) | 0.3503 (2) | 0.46768 (11) | 0.0389 (5) | |
| H19 | 0.1123 | 0.3350 | 0.5033 | 0.058* | |
| H20 | 0.1258 | 0.3797 | 0.4310 | 0.058* | |
| O15 | 0.2963 (3) | 0.1171 (2) | 0.38772 (11) | 0.0401 (5) | |
| H21 | 0.2280 | 0.0609 | 0.4052 | 0.060* | |
| H22 | 0.3638 | 0.0848 | 0.3523 | 0.060* | |
| O16 | 0.5789 (3) | 0.36211 (17) | 0.49962 (10) | 0.0322 (4) | |
| H23 | 0.5090 | 0.3960 | 0.5339 | 0.048* | |
| H24 | 0.6880 | 0.3369 | 0.5165 | 0.048* | |
| O17 | 0.9698 (3) | 0.4941 (2) | 0.36813 (13) | 0.0447 (5) | |
| H25 | 0.8479 | 0.4993 | 0.3709 | 0.067* | |
| H26 | 0.9998 | 0.5661 | 0.3793 | 0.067* | |
| O18 | 0.8077 (4) | 0.1571 (3) | 0.29453 (13) | 0.0583 (7) | |
| H27 | 0.9014 | 0.1539 | 0.2636 | 0.087* | |
| H28 | 0.7297 | 0.2213 | 0.2847 | 0.087* | |
| O19 | 0.2034 (4) | 0.3774 (2) | 0.25875 (15) | 0.0573 (6) | |
| H29 | 0.1448 | 0.3378 | 0.2286 | 0.086* | |
| H30 | 0.1123 | 0.4045 | 0.2878 | 0.086* | |
| O20 | 0.4729 (4) | 0.0133 (2) | 0.26230 (13) | 0.0479 (6) | |
| H31 | 0.5790 | 0.0442 | 0.2540 | 0.072* | |
| H32 | 0.4932 | −0.0659 | 0.2703 | 0.072* | |
| O21 | 0.1491 (4) | 0.1463 (2) | 0.20047 (13) | 0.0542 (6) | |
| H33 | 0.2577 | 0.1190 | 0.2170 | 0.081* | |
| H34 | 0.1573 | 0.1398 | 0.1543 | 0.081* |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| C1 | 0.0371 (15) | 0.0458 (17) | 0.0261 (14) | −0.0008 (13) | −0.0022 (11) | 0.0009 (12) |
| C2 | 0.0471 (17) | 0.0356 (15) | 0.0338 (15) | −0.0044 (13) | −0.0062 (12) | −0.0046 (12) |
| C3 | 0.0436 (16) | 0.0297 (14) | 0.0324 (14) | −0.0058 (12) | −0.0057 (12) | 0.0036 (11) |
| C4 | 0.0302 (13) | 0.0332 (14) | 0.0254 (12) | −0.0012 (11) | −0.0030 (10) | 0.0015 (10) |
| C5 | 0.0443 (17) | 0.0327 (15) | 0.0320 (14) | −0.0026 (13) | −0.0049 (12) | 0.0001 (11) |
| C6 | 0.0429 (17) | 0.0404 (16) | 0.0324 (15) | −0.0034 (13) | −0.0029 (12) | 0.0088 (12) |
| C7 | 0.0390 (15) | 0.0247 (13) | 0.0276 (13) | −0.0018 (11) | −0.0040 (11) | 0.0018 (10) |
| C8 | 0.0308 (13) | 0.0267 (13) | 0.0273 (13) | −0.0036 (11) | 0.0001 (10) | 0.0013 (10) |
| C9 | 0.0301 (14) | 0.0423 (16) | 0.0266 (13) | −0.0021 (12) | −0.0053 (10) | −0.0006 (11) |
| C10 | 0.0417 (16) | 0.0354 (15) | 0.0393 (16) | −0.0088 (13) | −0.0080 (12) | −0.0035 (12) |
| C11 | 0.0435 (16) | 0.0310 (14) | 0.0352 (15) | −0.0077 (13) | −0.0062 (12) | 0.0053 (11) |
| C12 | 0.0275 (13) | 0.0353 (14) | 0.0267 (13) | −0.0023 (11) | −0.0026 (10) | 0.0016 (10) |
| C13 | 0.0416 (16) | 0.0301 (14) | 0.0320 (14) | −0.0026 (12) | −0.0047 (11) | 0.0006 (11) |
| C14 | 0.0406 (16) | 0.0348 (15) | 0.0320 (14) | −0.0001 (12) | −0.0062 (11) | 0.0057 (11) |
| C15 | 0.0382 (15) | 0.0276 (13) | 0.0286 (13) | −0.0032 (11) | −0.0036 (11) | 0.0007 (10) |
| C16 | 0.0273 (13) | 0.0319 (14) | 0.0263 (12) | −0.0033 (11) | −0.0001 (10) | 0.0012 (10) |
| N1 | 0.066 (2) | 0.062 (2) | 0.0296 (14) | −0.0051 (16) | −0.0069 (13) | −0.0001 (13) |
| N2 | 0.0426 (15) | 0.0536 (17) | 0.0313 (13) | −0.0041 (13) | −0.0057 (10) | −0.0020 (12) |
| Ni1 | 0.0323 (2) | 0.02138 (18) | 0.02258 (17) | −0.00295 (13) | −0.00290 (12) | 0.00103 (11) |
| O1 | 0.0508 (12) | 0.0290 (10) | 0.0304 (10) | −0.0026 (9) | −0.0093 (9) | 0.0054 (8) |
| O2 | 0.0696 (15) | 0.0280 (10) | 0.0289 (10) | −0.0054 (10) | −0.0109 (10) | 0.0005 (8) |
| O3 | 0.0586 (13) | 0.0275 (10) | 0.0267 (10) | −0.0044 (9) | −0.0091 (9) | 0.0023 (7) |
| O4 | 0.132 (3) | 0.076 (2) | 0.0369 (14) | −0.013 (2) | −0.0194 (16) | −0.0112 (14) |
| O5 | 0.164 (4) | 0.079 (2) | 0.0340 (14) | −0.025 (2) | −0.0150 (18) | 0.0167 (14) |
| O6 | 0.0386 (11) | 0.0306 (10) | 0.0319 (10) | −0.0053 (8) | −0.0062 (8) | 0.0043 (8) |
| O7 | 0.0519 (13) | 0.0333 (11) | 0.0315 (10) | −0.0080 (9) | −0.0055 (9) | −0.0006 (8) |
| O8 | 0.0515 (12) | 0.0317 (10) | 0.0262 (9) | −0.0066 (9) | −0.0075 (8) | 0.0026 (8) |
| O9 | 0.101 (2) | 0.0585 (17) | 0.0417 (14) | −0.0133 (15) | −0.0179 (14) | −0.0121 (12) |
| O10 | 0.092 (2) | 0.0599 (16) | 0.0318 (12) | −0.0096 (15) | −0.0137 (12) | 0.0096 (11) |
| O11 | 0.0417 (11) | 0.0256 (9) | 0.0287 (9) | −0.0056 (8) | −0.0046 (8) | 0.0033 (7) |
| O12 | 0.0388 (11) | 0.0304 (10) | 0.0298 (10) | 0.0007 (8) | −0.0025 (8) | −0.0009 (7) |
| O13 | 0.0523 (12) | 0.0269 (10) | 0.0255 (9) | −0.0094 (9) | −0.0052 (8) | 0.0033 (7) |
| O14 | 0.0370 (11) | 0.0419 (12) | 0.0352 (11) | 0.0039 (9) | 0.0029 (8) | 0.0104 (9) |
| O15 | 0.0539 (13) | 0.0366 (11) | 0.0329 (10) | −0.0183 (10) | −0.0034 (9) | −0.0038 (8) |
| O16 | 0.0359 (10) | 0.0279 (10) | 0.0329 (10) | −0.0005 (8) | −0.0074 (8) | −0.0039 (7) |
| O17 | 0.0460 (13) | 0.0330 (11) | 0.0542 (14) | 0.0022 (10) | −0.0104 (10) | 0.0004 (9) |
| O18 | 0.0687 (17) | 0.0573 (15) | 0.0441 (14) | 0.0093 (13) | 0.0108 (12) | 0.0067 (11) |
| O19 | 0.0625 (16) | 0.0543 (15) | 0.0564 (15) | −0.0053 (13) | −0.0182 (12) | −0.0036 (12) |
| O20 | 0.0582 (14) | 0.0338 (12) | 0.0510 (14) | −0.0048 (10) | 0.0032 (11) | 0.0049 (10) |
| O21 | 0.0668 (16) | 0.0596 (16) | 0.0365 (12) | −0.0064 (13) | −0.0066 (11) | −0.0021 (11) |
| C1—C2 | 1.379 (4) | C16—O7 | 1.245 (3) |
| C1—C6 | 1.380 (4) | C16—O6 | 1.255 (3) |
| C1—N1 | 1.458 (4) | N1—O4 | 1.214 (4) |
| C2—C3 | 1.380 (4) | N1—O5 | 1.226 (4) |
| C2—H1 | 0.9300 | N2—O9 | 1.218 (4) |
| C3—C4 | 1.385 (4) | N2—O10 | 1.230 (4) |
| C3—H2 | 0.9300 | Ni1—O13 | 2.038 (2) |
| C4—O3 | 1.351 (3) | Ni1—O16 | 2.042 (2) |
| C4—C5 | 1.400 (4) | Ni1—O14 | 2.045 (2) |
| C5—C6 | 1.375 (4) | Ni1—O15 | 2.048 (2) |
| C5—H3 | 0.9300 | Ni1—O11 | 2.070 (2) |
| C6—H4 | 0.9300 | Ni1—O12 | 2.091 (2) |
| C7—O3 | 1.431 (3) | O11—H13 | 0.8500 |
| C7—C8 | 1.516 (4) | O11—H14 | 0.8500 |
| C7—H5 | 0.9700 | O12—H15 | 0.8499 |
| C7—H6 | 0.9700 | O12—H16 | 0.8501 |
| C8—O2 | 1.236 (3) | O13—H17 | 0.8502 |
| C8—O1 | 1.262 (3) | O13—H18 | 0.8500 |
| C9—C14 | 1.375 (4) | O14—H19 | 0.8500 |
| C9—C10 | 1.384 (4) | O14—H20 | 0.8501 |
| C9—N2 | 1.445 (4) | O15—H21 | 0.8500 |
| C10—C11 | 1.373 (4) | O15—H22 | 0.8500 |
| C10—H7 | 0.9300 | O16—H23 | 0.8499 |
| C11—C12 | 1.398 (4) | O16—H24 | 0.8499 |
| C11—H8 | 0.9300 | O17—H25 | 0.8501 |
| C12—O8 | 1.352 (3) | O17—H26 | 0.8501 |
| C12—C13 | 1.383 (4) | O18—H27 | 0.8499 |
| C13—C14 | 1.377 (4) | O18—H28 | 0.8500 |
| C13—H9 | 0.9300 | O19—H29 | 0.8500 |
| C14—H10 | 0.9300 | O19—H30 | 0.8500 |
| C15—O8 | 1.424 (3) | O20—H31 | 0.8500 |
| C15—C16 | 1.512 (4) | O20—H32 | 0.8500 |
| C15—H11 | 0.9700 | O21—H33 | 0.8499 |
| C15—H12 | 0.9700 | O21—H34 | 0.8501 |
| C2—C1—C6 | 121.9 (3) | H11—C15—H12 | 108.2 |
| C2—C1—N1 | 119.2 (3) | O7—C16—O6 | 125.4 (3) |
| C6—C1—N1 | 118.9 (3) | O7—C16—C15 | 115.2 (2) |
| C1—C2—C3 | 119.4 (3) | O6—C16—C15 | 119.4 (2) |
| C1—C2—H1 | 120.3 | O4—N1—O5 | 123.8 (3) |
| C3—C2—H1 | 120.3 | O4—N1—C1 | 119.1 (3) |
| C2—C3—C4 | 119.4 (3) | O5—N1—C1 | 117.2 (3) |
| C2—C3—H2 | 120.3 | O9—N2—O10 | 122.3 (3) |
| C4—C3—H2 | 120.3 | O9—N2—C9 | 119.4 (3) |
| O3—C4—C3 | 125.1 (2) | O10—N2—C9 | 118.3 (3) |
| O3—C4—C5 | 114.3 (2) | O13—Ni1—O16 | 92.38 (8) |
| C3—C4—C5 | 120.7 (3) | O13—Ni1—O14 | 86.00 (9) |
| C6—C5—C4 | 119.6 (3) | O16—Ni1—O14 | 87.80 (9) |
| C6—C5—H3 | 120.2 | O13—Ni1—O15 | 92.31 (9) |
| C4—C5—H3 | 120.2 | O16—Ni1—O15 | 175.30 (8) |
| C5—C6—C1 | 119.1 (3) | O14—Ni1—O15 | 92.18 (9) |
| C5—C6—H4 | 120.5 | O13—Ni1—O11 | 178.78 (8) |
| C1—C6—H4 | 120.5 | O16—Ni1—O11 | 88.57 (8) |
| O3—C7—C8 | 108.2 (2) | O14—Ni1—O11 | 93.25 (8) |
| O3—C7—H5 | 110.1 | O15—Ni1—O11 | 86.74 (8) |
| C8—C7—H5 | 110.1 | O13—Ni1—O12 | 89.70 (9) |
| O3—C7—H6 | 110.1 | O16—Ni1—O12 | 89.70 (8) |
| C8—C7—H6 | 110.1 | O14—Ni1—O12 | 174.93 (8) |
| H5—C7—H6 | 108.4 | O15—Ni1—O12 | 90.67 (9) |
| O2—C8—O1 | 125.9 (3) | O11—Ni1—O12 | 91.09 (8) |
| O2—C8—C7 | 119.0 (2) | C4—O3—C7 | 118.5 (2) |
| O1—C8—C7 | 115.1 (2) | C12—O8—C15 | 117.9 (2) |
| C14—C9—C10 | 121.6 (3) | Ni1—O11—H13 | 119.0 |
| C14—C9—N2 | 119.2 (3) | Ni1—O11—H14 | 115.7 |
| C10—C9—N2 | 119.1 (3) | H13—O11—H14 | 102.9 |
| C11—C10—C9 | 118.7 (3) | Ni1—O12—H15 | 118.6 |
| C11—C10—H7 | 120.6 | Ni1—O12—H16 | 116.5 |
| C9—C10—H7 | 120.6 | H15—O12—H16 | 111.7 |
| C10—C11—C12 | 120.1 (3) | Ni1—O13—H17 | 119.9 |
| C10—C11—H8 | 120.0 | Ni1—O13—H18 | 124.8 |
| C12—C11—H8 | 120.0 | H17—O13—H18 | 108.3 |
| O8—C12—C13 | 124.8 (3) | Ni1—O14—H19 | 121.5 |
| O8—C12—C11 | 114.8 (2) | Ni1—O14—H20 | 117.5 |
| C13—C12—C11 | 120.4 (3) | H19—O14—H20 | 110.1 |
| C14—C13—C12 | 119.4 (3) | Ni1—O15—H21 | 125.6 |
| C14—C13—H9 | 120.3 | Ni1—O15—H22 | 113.9 |
| C12—C13—H9 | 120.3 | H21—O15—H22 | 107.0 |
| C9—C14—C13 | 119.8 (3) | Ni1—O16—H23 | 110.7 |
| C9—C14—H10 | 120.1 | Ni1—O16—H24 | 118.2 |
| C13—C14—H10 | 120.1 | H23—O16—H24 | 108.2 |
| O8—C15—C16 | 109.7 (2) | H25—O17—H26 | 105.8 |
| O8—C15—H11 | 109.7 | H27—O18—H28 | 109.3 |
| C16—C15—H11 | 109.7 | H29—O19—H30 | 101.7 |
| O8—C15—H12 | 109.7 | H31—O20—H32 | 109.7 |
| C16—C15—H12 | 109.7 | H33—O21—H34 | 107.3 |
| D—H···A | D—H | H···A | D···A | D—H···A |
| O11—H13···O1 | 0.85 | 1.87 | 2.706 (3) | 167 |
| O11—H14···O19 | 0.85 | 1.84 | 2.687 (3) | 176 |
| O12—H15···O18 | 0.85 | 1.94 | 2.739 (3) | 156 |
| O12—H16···O7i | 0.85 | 1.79 | 2.640 (3) | 173 |
| O13—H17···O2ii | 0.85 | 1.80 | 2.652 (3) | 179 |
| O13—H18···O12iii | 0.85 | 2.01 | 2.859 (3) | 173 |
| O14—H19···O6ii | 0.85 | 1.97 | 2.814 (3) | 171 |
| O14—H20···O17iv | 0.85 | 1.93 | 2.749 (3) | 161 |
| O15—H21···O7v | 0.85 | 1.88 | 2.719 (3) | 168 |
| O15—H22···O20 | 0.85 | 1.94 | 2.779 (3) | 169 |
| O16—H23···O1ii | 0.85 | 2.04 | 2.831 (3) | 154 |
| O16—H24···O6i | 0.85 | 1.93 | 2.762 (3) | 168 |
| O17—H25···O1 | 0.85 | 2.07 | 2.885 (3) | 160 |
| O17—H26···O6 | 0.85 | 1.96 | 2.789 (3) | 166 |
| O18—H27···O21vi | 0.85 | 2.05 | 2.890 (4) | 173 |
| O18—H28···O11 | 0.85 | 2.23 | 2.881 (3) | 133 |
| O19—H29···O21 | 0.85 | 2.12 | 2.788 (4) | 135 |
| O19—H30···O17iv | 0.85 | 1.97 | 2.786 (4) | 161 |
| O20—H31···O18 | 0.85 | 2.26 | 3.018 (4) | 148 |
| O20—H32···O2vii | 0.85 | 1.96 | 2.753 (3) | 156 |
| O21—H33···O20 | 0.85 | 1.98 | 2.805 (4) | 164 |
| O21—H34···O10viii | 0.85 | 2.06 | 2.905 (3) | 171 |
| Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+1, −y, −z+1; (iv) x−1, y, z; (v) x−1, y−1, z; (vi) x+1, y, z; (vii) x, y−1, z; (viii) −x+1, −y+1, −z. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| O11—H13···O1 | 0.85 | 1.87 | 2.706 (3) | 167 |
| O11—H14···O19 | 0.85 | 1.84 | 2.687 (3) | 176 |
| O12—H15···O18 | 0.85 | 1.94 | 2.739 (3) | 156 |
| O12—H16···O7i | 0.85 | 1.79 | 2.640 (3) | 173 |
| O13—H17···O2ii | 0.85 | 1.80 | 2.652 (3) | 179 |
| O13—H18···O12iii | 0.85 | 2.01 | 2.859 (3) | 173 |
| O14—H19···O6ii | 0.85 | 1.97 | 2.814 (3) | 171 |
| O14—H20···O17iv | 0.85 | 1.93 | 2.749 (3) | 161 |
| O15—H21···O7v | 0.85 | 1.88 | 2.719 (3) | 168 |
| O15—H22···O20 | 0.85 | 1.94 | 2.779 (3) | 169 |
| O16—H23···O1ii | 0.85 | 2.04 | 2.831 (3) | 154 |
| O16—H24···O6i | 0.85 | 1.93 | 2.762 (3) | 168 |
| O17—H25···O1 | 0.85 | 2.07 | 2.885 (3) | 160 |
| O17—H26···O6 | 0.85 | 1.96 | 2.789 (3) | 166 |
| O18—H27···O21vi | 0.85 | 2.05 | 2.890 (4) | 173 |
| O18—H28···O11 | 0.85 | 2.23 | 2.881 (3) | 133 |
| O19—H29···O21 | 0.85 | 2.12 | 2.788 (4) | 135 |
| O19—H30···O17iv | 0.85 | 1.97 | 2.786 (4) | 161 |
| O20—H31···O18 | 0.85 | 2.26 | 3.018 (4) | 148 |
| O20—H32···O2vii | 0.85 | 1.96 | 2.753 (3) | 156 |
| O21—H33···O20 | 0.85 | 1.98 | 2.805 (4) | 164 |
| O21—H34···O10viii | 0.85 | 2.06 | 2.905 (3) | 171 |
| Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+1, −y, −z+1; (iv) x−1, y, z; (v) x−1, y−1, z; (vi) x+1, y, z; (vii) x, y−1, z; (viii) −x+1, −y+1, −z. |
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Prout, K., Grove, P. J., Harridine, B. D. & Rossotti, F. J. C. (1975). Acta Cryst. B31, 2047–2051.
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (1997a). SHELXL97 and SHELXS97. University of Göttingen, Germany.
Sheldrick, G. M. (1997b). SHELXTL. Version 5.10. Bruker AXS Inc., Madison, Wisconsin, USA.
Tian, L.-J., Yu, H.-X., Sun, Y.-X. & Yu, F.-Y. (2006). Acta Cryst. E62, m7–m9.
Complexes of 4-nitrophenoxyacetic acid and metal ions (M= Cu and Sn) have been structurally characterized (Prout et al., 1975; Tian et al., 2006). Recently, we reported the cobalt derivative (Gao et al., 2006); following this study, we report the nickel complex (I), which consists of a hexaaquanickel(II) cation, two 4-nitrophenoxyacetate anions and five lattice water molecules (Fig.1). The Ni(II) atom is six-coordinated in an octahedral environment. The two anions are approximately parallel. The cation, anion and lattice water molecules are linked by O—H···O hydrogen bonds into a three-dimensional network structure. (Table 1).