Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807055092/pk2060sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807055092/pk2060Isup2.hkl |
CCDC reference: 672615
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.003 Å
- R factor = 0.040
- wR factor = 0.108
- Data-to-parameter ratio = 17.3
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ni1 - O3 .. 6.13 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C11 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N3 PLAT480_ALERT_4_C Long H...A H-Bond Reported H7D .. O5 .. 2.65 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H7E .. N3 .. 2.64 Ang.
Alert level G PLAT794_ALERT_5_G Check Predicted Bond Valency for Ni1 (2) 2.08 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 6
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
3-Methoxysalicylaldehyde (1.0 mmol, 152.0 mg), N-isopropylethane-1,2-diamine (1.0 mmol, 102.2 mg), and Ni(NO3)2·6H2O (0.5 mmol, 145.3 mg) were dissolved in a 95% ethanol solution (30 ml). The mixture was stirred at room temperature for about 1 h to give a green solution. After keeping the solution in air for 12 days, green block-like crystals were formed.
Water H atoms were located in a difference Fourier map and refined isotropically, with O—H and H···H distances restrained to 0.85 (1) Å and 1.37 (2) Å respectively. The other H atoms were placed in idealized positions and constrained to ride on their parent atoms, with C—H distances in the range 0.93–0.97 Å, and with Uiso(H) = 1.2 or 1.5Ueq(C).
Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXTL (Bruker, 2000); molecular graphics: SHELXTL (Bruker, 2000); software used to prepare material for publication: SHELXTL (Bruker, 2000).
[Ni(C13H20N2O2)2(H2O)2](NO3)2·2H2O | F(000) = 1544 |
Mr = 727.39 | Dx = 1.399 Mg m−3 |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 5968 reflections |
a = 14.101 (4) Å | θ = 2.4–25.2° |
b = 10.369 (3) Å | µ = 0.63 mm−1 |
c = 23.627 (6) Å | T = 298 K |
V = 3454.7 (17) Å3 | Block, green |
Z = 4 | 0.30 × 0.27 × 0.23 mm |
Bruker SMART CCD area-detector diffractometer | 3967 independent reflections |
Radiation source: fine-focus sealed tube | 3000 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.040 |
ω scans | θmax = 27.5°, θmin = 1.7° |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | h = −18→18 |
Tmin = 0.833, Tmax = 0.868 | k = −13→13 |
27825 measured reflections | l = −30→30 |
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)] = 0.040 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.108 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0472P)2 + 1.9738P] where P = (Fo2 + 2Fc2)/3 |
3967 reflections | (Δ/σ)max < 0.001 |
229 parameters | Δρmax = 0.51 e Å−3 |
6 restraints | Δρmin = −0.36 e Å−3 |
[Ni(C13H20N2O2)2(H2O)2](NO3)2·2H2O | V = 3454.7 (17) Å3 |
Mr = 727.39 | Z = 4 |
Orthorhombic, Pbca | Mo Kα radiation |
a = 14.101 (4) Å | µ = 0.63 mm−1 |
b = 10.369 (3) Å | T = 298 K |
c = 23.627 (6) Å | 0.30 × 0.27 × 0.23 mm |
Bruker SMART CCD area-detector diffractometer | 3967 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | 3000 reflections with I > 2σ(I) |
Tmin = 0.833, Tmax = 0.868 | Rint = 0.040 |
27825 measured reflections |
R[F2 > 2σ(F2)] = 0.040 | 6 restraints |
wR(F2) = 0.108 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.02 | Δρmax = 0.51 e Å−3 |
3967 reflections | Δρmin = −0.36 e Å−3 |
229 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 > 2σ(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 | ||
Ni1 | 1.0000 | 0.0000 | 0.5000 | 0.02925 (11) | |
O1 | 0.91529 (9) | −0.02221 (14) | 0.43343 (6) | 0.0370 (3) | |
O2 | 0.82723 (11) | −0.18753 (15) | 0.36977 (7) | 0.0468 (4) | |
O3 | 1.07598 (11) | 0.14933 (15) | 0.45794 (7) | 0.0446 (4) | |
O4 | 0.18849 (17) | 0.3220 (2) | 0.33180 (15) | 0.1183 (11) | |
O5 | 0.04457 (13) | 0.29566 (19) | 0.35709 (9) | 0.0711 (6) | |
O6 | 0.11196 (19) | 0.4802 (2) | 0.36353 (12) | 0.0932 (8) | |
O7 | 0.19608 (13) | 0.07169 (17) | 0.37196 (9) | 0.0592 (5) | |
N1 | 0.90533 (12) | 0.13969 (15) | 0.52859 (7) | 0.0324 (4) | |
N2 | 0.96617 (12) | 0.09622 (16) | 0.64619 (7) | 0.0355 (4) | |
H2A | 1.0180 | 0.0796 | 0.6252 | 0.043* | |
H2B | 0.9235 | 0.0338 | 0.6389 | 0.043* | |
N3 | 0.11452 (15) | 0.3664 (2) | 0.35155 (9) | 0.0530 (5) | |
C1 | 0.77137 (14) | 0.0516 (2) | 0.47669 (9) | 0.0354 (4) | |
C2 | 0.82259 (14) | −0.02761 (19) | 0.43900 (8) | 0.0320 (4) | |
C3 | 0.77055 (14) | −0.1139 (2) | 0.40424 (9) | 0.0368 (5) | |
C4 | 0.67340 (16) | −0.1185 (2) | 0.40649 (10) | 0.0458 (5) | |
H4 | 0.6406 | −0.1768 | 0.3839 | 0.055* | |
C5 | 0.62353 (16) | −0.0365 (3) | 0.44243 (11) | 0.0527 (6) | |
H5 | 0.5576 | −0.0383 | 0.4429 | 0.063* | |
C6 | 0.67153 (15) | 0.0466 (3) | 0.47693 (10) | 0.0466 (5) | |
H6 | 0.6378 | 0.1008 | 0.5010 | 0.056* | |
C7 | 0.7837 (2) | −0.2852 (2) | 0.33677 (11) | 0.0584 (7) | |
H7A | 0.7463 | −0.3399 | 0.3608 | 0.088* | |
H7B | 0.8317 | −0.3357 | 0.3184 | 0.088* | |
H7C | 0.7435 | −0.2462 | 0.3088 | 0.088* | |
C8 | 0.81822 (15) | 0.1435 (2) | 0.51351 (9) | 0.0372 (5) | |
H8 | 0.7818 | 0.2112 | 0.5274 | 0.045* | |
C9 | 0.93993 (15) | 0.24570 (19) | 0.56478 (9) | 0.0390 (5) | |
H9A | 0.9073 | 0.3245 | 0.5543 | 0.047* | |
H9B | 1.0070 | 0.2584 | 0.5576 | 0.047* | |
C10 | 0.92553 (16) | 0.2217 (2) | 0.62739 (9) | 0.0422 (5) | |
H10A | 0.9550 | 0.2910 | 0.6487 | 0.051* | |
H10B | 0.8582 | 0.2229 | 0.6357 | 0.051* | |
C11 | 0.99340 (16) | 0.0882 (2) | 0.70763 (9) | 0.0445 (5) | |
H11 | 1.0343 | 0.1620 | 0.7163 | 0.053* | |
C12 | 0.9065 (2) | 0.0974 (4) | 0.74436 (11) | 0.0773 (9) | |
H12A | 0.8737 | 0.1764 | 0.7363 | 0.116* | |
H12B | 0.9250 | 0.0961 | 0.7835 | 0.116* | |
H12C | 0.8655 | 0.0257 | 0.7367 | 0.116* | |
C13 | 1.0501 (3) | −0.0329 (3) | 0.71657 (12) | 0.0756 (9) | |
H13A | 1.0114 | −0.1066 | 0.7080 | 0.113* | |
H13B | 1.0704 | −0.0374 | 0.7553 | 0.113* | |
H13C | 1.1045 | −0.0322 | 0.6922 | 0.113* | |
H3A | 1.1215 (14) | 0.117 (3) | 0.4393 (11) | 0.080* | |
H3B | 1.0443 (17) | 0.195 (3) | 0.4351 (10) | 0.080* | |
H7D | 0.195 (2) | 0.1423 (17) | 0.3541 (12) | 0.080* | |
H7E | 0.2499 (11) | 0.038 (2) | 0.3686 (13) | 0.080* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ni1 | 0.02767 (19) | 0.02977 (19) | 0.03031 (19) | 0.00044 (14) | −0.00154 (14) | −0.00484 (14) |
O1 | 0.0275 (7) | 0.0491 (9) | 0.0345 (7) | 0.0027 (6) | −0.0017 (6) | −0.0104 (6) |
O2 | 0.0431 (8) | 0.0485 (9) | 0.0488 (9) | −0.0050 (7) | −0.0034 (7) | −0.0174 (7) |
O3 | 0.0473 (9) | 0.0403 (9) | 0.0461 (9) | −0.0027 (7) | 0.0043 (7) | 0.0002 (7) |
O4 | 0.0653 (14) | 0.0643 (14) | 0.225 (3) | 0.0072 (12) | 0.0497 (18) | 0.0195 (18) |
O5 | 0.0448 (10) | 0.0706 (13) | 0.0980 (16) | −0.0061 (9) | −0.0065 (10) | 0.0168 (11) |
O6 | 0.1038 (19) | 0.0531 (13) | 0.123 (2) | −0.0006 (12) | 0.0109 (16) | −0.0196 (13) |
O7 | 0.0506 (10) | 0.0472 (10) | 0.0798 (13) | 0.0028 (8) | 0.0140 (10) | 0.0007 (9) |
N1 | 0.0364 (9) | 0.0298 (8) | 0.0311 (8) | 0.0021 (7) | −0.0024 (7) | −0.0023 (7) |
N2 | 0.0376 (9) | 0.0361 (9) | 0.0329 (9) | 0.0005 (7) | 0.0028 (7) | −0.0068 (7) |
N3 | 0.0467 (12) | 0.0479 (12) | 0.0643 (13) | 0.0041 (10) | −0.0029 (10) | 0.0125 (10) |
C1 | 0.0298 (10) | 0.0415 (11) | 0.0350 (10) | 0.0065 (9) | −0.0043 (8) | 0.0004 (9) |
C2 | 0.0293 (9) | 0.0350 (10) | 0.0318 (10) | 0.0025 (8) | −0.0028 (8) | 0.0032 (8) |
C3 | 0.0368 (11) | 0.0376 (11) | 0.0361 (11) | −0.0016 (9) | −0.0045 (8) | 0.0021 (9) |
C4 | 0.0385 (12) | 0.0497 (13) | 0.0491 (13) | −0.0087 (10) | −0.0110 (10) | 0.0021 (11) |
C5 | 0.0286 (11) | 0.0681 (16) | 0.0613 (16) | −0.0003 (11) | −0.0040 (11) | 0.0038 (13) |
C6 | 0.0332 (11) | 0.0588 (14) | 0.0479 (13) | 0.0095 (10) | −0.0006 (10) | −0.0021 (11) |
C7 | 0.0668 (17) | 0.0509 (14) | 0.0574 (15) | −0.0103 (12) | −0.0109 (13) | −0.0141 (12) |
C8 | 0.0378 (11) | 0.0377 (11) | 0.0361 (11) | 0.0097 (9) | 0.0019 (8) | −0.0022 (9) |
C9 | 0.0467 (12) | 0.0281 (10) | 0.0422 (11) | 0.0032 (9) | −0.0033 (9) | −0.0052 (9) |
C10 | 0.0475 (12) | 0.0386 (11) | 0.0404 (12) | 0.0082 (10) | −0.0002 (10) | −0.0109 (9) |
C11 | 0.0512 (13) | 0.0503 (13) | 0.0320 (11) | −0.0018 (11) | −0.0031 (9) | −0.0079 (10) |
C12 | 0.077 (2) | 0.118 (3) | 0.0371 (14) | −0.0082 (19) | 0.0125 (13) | −0.0068 (16) |
C13 | 0.113 (3) | 0.0651 (18) | 0.0485 (16) | 0.0218 (18) | −0.0159 (17) | 0.0013 (13) |
Ni1—O1i | 1.9884 (14) | C2—C3 | 1.419 (3) |
Ni1—O1 | 1.9884 (14) | C3—C4 | 1.372 (3) |
Ni1—N1 | 2.0824 (16) | C4—C5 | 1.393 (3) |
Ni1—N1i | 2.0824 (16) | C4—H4 | 0.9300 |
Ni1—O3 | 2.1291 (16) | C5—C6 | 1.366 (4) |
Ni1—O3i | 2.1291 (16) | C5—H5 | 0.9300 |
O1—C2 | 1.315 (2) | C6—H6 | 0.9300 |
O2—C3 | 1.373 (3) | C7—H7A | 0.9600 |
O2—C7 | 1.418 (3) | C7—H7B | 0.9600 |
O3—H3A | 0.85 (3) | C7—H7C | 0.9600 |
O3—H3B | 0.85 (3) | C8—H8 | 0.9300 |
O4—N3 | 1.232 (3) | C9—C10 | 1.514 (3) |
O5—N3 | 1.236 (3) | C9—H9A | 0.9700 |
O6—N3 | 1.214 (3) | C9—H9B | 0.9700 |
O7—H7D | 0.845 (10) | C10—H10A | 0.9700 |
O7—H7E | 0.840 (10) | C10—H10B | 0.9700 |
N1—C8 | 1.279 (3) | C11—C12 | 1.504 (3) |
N1—C9 | 1.476 (2) | C11—C13 | 1.504 (4) |
N2—C10 | 1.490 (3) | C11—H11 | 0.9800 |
N2—C11 | 1.504 (3) | C12—H12A | 0.9600 |
N2—H2A | 0.9000 | C12—H12B | 0.9600 |
N2—H2B | 0.9000 | C12—H12C | 0.9600 |
C1—C6 | 1.409 (3) | C13—H13A | 0.9600 |
C1—C2 | 1.410 (3) | C13—H13B | 0.9600 |
C1—C8 | 1.450 (3) | C13—H13C | 0.9600 |
O1i—Ni1—O1 | 180.0 | C6—C5—C4 | 119.9 (2) |
O1i—Ni1—N1 | 92.75 (6) | C6—C5—H5 | 120.0 |
O1—Ni1—N1 | 87.25 (6) | C4—C5—H5 | 120.0 |
O1i—Ni1—N1i | 87.25 (6) | C5—C6—C1 | 121.1 (2) |
O1—Ni1—N1i | 92.75 (6) | C5—C6—H6 | 119.5 |
N1—Ni1—N1i | 180.00 (8) | C1—C6—H6 | 119.5 |
O1i—Ni1—O3 | 89.01 (6) | O2—C7—H7A | 109.5 |
O1—Ni1—O3 | 90.99 (6) | O2—C7—H7B | 109.5 |
N1—Ni1—O3 | 88.18 (7) | H7A—C7—H7B | 109.5 |
N1i—Ni1—O3 | 91.82 (7) | O2—C7—H7C | 109.5 |
O1i—Ni1—O3i | 90.99 (6) | H7A—C7—H7C | 109.5 |
O1—Ni1—O3i | 89.01 (6) | H7B—C7—H7C | 109.5 |
N1—Ni1—O3i | 91.82 (7) | N1—C8—C1 | 125.74 (19) |
N1i—Ni1—O3i | 88.18 (7) | N1—C8—H8 | 117.1 |
O3—Ni1—O3i | 180.0 | C1—C8—H8 | 117.1 |
C2—O1—Ni1 | 121.53 (13) | N1—C9—C10 | 113.55 (17) |
C3—O2—C7 | 118.10 (18) | N1—C9—H9A | 108.9 |
Ni1—O3—H3A | 110 (2) | C10—C9—H9A | 108.9 |
Ni1—O3—H3B | 116 (2) | N1—C9—H9B | 108.9 |
H3A—O3—H3B | 107 (2) | C10—C9—H9B | 108.9 |
H7D—O7—H7E | 109 (2) | H9A—C9—H9B | 107.7 |
C8—N1—C9 | 117.10 (17) | N2—C10—C9 | 112.53 (17) |
C8—N1—Ni1 | 123.15 (14) | N2—C10—H10A | 109.1 |
C9—N1—Ni1 | 119.61 (13) | C9—C10—H10A | 109.1 |
C10—N2—C11 | 115.72 (16) | N2—C10—H10B | 109.1 |
C10—N2—H2A | 108.4 | C9—C10—H10B | 109.1 |
C11—N2—H2A | 108.4 | H10A—C10—H10B | 107.8 |
C10—N2—H2B | 108.4 | N2—C11—C12 | 110.22 (19) |
C11—N2—H2B | 108.4 | N2—C11—C13 | 108.50 (19) |
H2A—N2—H2B | 107.4 | C12—C11—C13 | 113.9 (2) |
O6—N3—O4 | 118.5 (2) | N2—C11—H11 | 108.0 |
O6—N3—O5 | 121.9 (2) | C12—C11—H11 | 108.0 |
O4—N3—O5 | 119.6 (2) | C13—C11—H11 | 108.0 |
C6—C1—C2 | 119.5 (2) | C11—C12—H12A | 109.5 |
C6—C1—C8 | 118.5 (2) | C11—C12—H12B | 109.5 |
C2—C1—C8 | 121.90 (18) | H12A—C12—H12B | 109.5 |
O1—C2—C1 | 123.19 (18) | C11—C12—H12C | 109.5 |
O1—C2—C3 | 118.87 (18) | H12A—C12—H12C | 109.5 |
C1—C2—C3 | 117.90 (18) | H12B—C12—H12C | 109.5 |
C4—C3—O2 | 125.8 (2) | C11—C13—H13A | 109.5 |
C4—C3—C2 | 121.0 (2) | C11—C13—H13B | 109.5 |
O2—C3—C2 | 113.14 (17) | H13A—C13—H13B | 109.5 |
C3—C4—C5 | 120.5 (2) | C11—C13—H13C | 109.5 |
C3—C4—H4 | 119.8 | H13A—C13—H13C | 109.5 |
C5—C4—H4 | 119.8 | H13B—C13—H13C | 109.5 |
Symmetry code: (i) −x+2, −y, −z+1. |
D—H···A | D—H | H···A | D···A | D—H···A |
N2—H2A···O1i | 0.90 | 1.78 | 2.631 (2) | 158 |
N2—H2A···O2i | 0.90 | 2.46 | 3.086 (2) | 127 |
N2—H2B···O7ii | 0.90 | 2.03 | 2.907 (3) | 166 |
O3—H3A···O7iii | 0.85 (3) | 1.97 (2) | 2.765 (2) | 157 (3) |
O3—H3B···O5iii | 0.85 (3) | 2.12 (2) | 2.859 (3) | 146 (2) |
O7—H7D···O4 | 0.85 (3) | 1.94 (1) | 2.765 (3) | 166 (3) |
O7—H7D···N3 | 0.85 (3) | 2.59 (2) | 3.300 (3) | 143 (3) |
O7—H7D···O5 | 0.85 (3) | 2.65 (2) | 3.175 (3) | 121 (2) |
O7—H7E···O6iv | 0.84 (3) | 2.04 (1) | 2.875 (3) | 172 (3) |
O7—H7E···O4iv | 0.84 (3) | 2.55 (2) | 3.202 (3) | 135 (3) |
O7—H7E···N3iv | 0.84 (3) | 2.64 (1) | 3.449 (3) | 162 (3) |
Symmetry codes: (i) −x+2, −y, −z+1; (ii) −x+1, −y, −z+1; (iii) x+1, y, z; (iv) −x+1/2, y−1/2, z. |
Experimental details
Crystal data | |
Chemical formula | [Ni(C13H20N2O2)2(H2O)2](NO3)2·2H2O |
Mr | 727.39 |
Crystal system, space group | Orthorhombic, Pbca |
Temperature (K) | 298 |
a, b, c (Å) | 14.101 (4), 10.369 (3), 23.627 (6) |
V (Å3) | 3454.7 (17) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 0.63 |
Crystal size (mm) | 0.30 × 0.27 × 0.23 |
Data collection | |
Diffractometer | Bruker SMART CCD area-detector diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 2000) |
Tmin, Tmax | 0.833, 0.868 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 27825, 3967, 3000 |
Rint | 0.040 |
(sin θ/λ)max (Å−1) | 0.650 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.040, 0.108, 1.02 |
No. of reflections | 3967 |
No. of parameters | 229 |
No. of restraints | 6 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.51, −0.36 |
Computer programs: SMART (Bruker, 2000), SAINT (Bruker, 2000), SHELXTL (Bruker, 2000).
D—H···A | D—H | H···A | D···A | D—H···A |
N2—H2A···O1i | 0.90 | 1.78 | 2.631 (2) | 157.5 |
N2—H2A···O2i | 0.90 | 2.46 | 3.086 (2) | 127.4 |
N2—H2B···O7ii | 0.90 | 2.03 | 2.907 (3) | 165.5 |
O3—H3A···O7iii | 0.85 (3) | 1.965 (15) | 2.765 (2) | 157 (3) |
O3—H3B···O5iii | 0.85 (3) | 2.118 (18) | 2.859 (3) | 146 (2) |
O7—H7D···O4 | 0.85 (3) | 1.939 (12) | 2.765 (3) | 166 (3) |
O7—H7D···N3 | 0.85 (3) | 2.588 (18) | 3.300 (3) | 143 (3) |
O7—H7D···O5 | 0.85 (3) | 2.65 (2) | 3.175 (3) | 121 (2) |
O7—H7E···O6iv | 0.84 (3) | 2.041 (11) | 2.875 (3) | 172 (3) |
O7—H7E···O4iv | 0.84 (3) | 2.55 (2) | 3.202 (3) | 135 (3) |
O7—H7E···N3iv | 0.84 (3) | 2.641 (13) | 3.449 (3) | 162 (3) |
Symmetry codes: (i) −x+2, −y, −z+1; (ii) −x+1, −y, −z+1; (iii) x+1, y, z; (iv) −x+1/2, y−1/2, z. |
Schiff base nickel complexes have been received much attention in coordination chemistry (Di Bella et al., 1994; Lacroix et al., 1996; Averseng et al., 1999; Wang, 2005; Fun et al., 2001; Zhang et al., 2005). Recently, we have reported the structure of a Schiff base nickel(II) complex (Su et al., 2006). As a further investigation of the structures of such complexes, the title compound is reported here.
The complex consists of a mononuclear nickel(II) complex, with two nitrate anions and two lattice water molecules, as shown in Fig. 1. The Ni atom, lies on an inversion centre; it is chelated by the phenolic O and imine N atoms from two Schiff base ligands, and is coordinated by the O atoms from two water molecules, giving a slightly distorted octahedral geometry. The three trans angles at Ni are 180° by symmetry, the other angles are close to 90°, varying from 87.25 (6) to 92.75 (6)°. The Ni—O and Ni—N bond lengths are normal and comparable to those observed in other similar nickel(II) complexes (Wei, 2005; Ali et al., 2004; Sarı et al., 2006; Gomes et al., 2000).
In the crystal structure, molecules form chains running parallel to the a axis through intermolecular N—H···O, O—H···O and O—H···N hydrogen bonds (Fig. 2 and Table 1).