Buy article online - an online subscription or single-article purchase is required to access this article.
metal-organic compounds
In the title complex, [Ni(C12H14N3O3)(C2H3O2)(C5H5N)2], the NiII atom is six-coordinated by two N atoms and one O atom from a tridentate hydrazone ligand, two N atoms from two pyridine molecules, and one O atom from an acetate group, leading to a distorted octahedral geometry. The two N atoms of the pyridine molecules occupy the axial sites and the other four coordinated atoms define the equatorial plane. The uncoordinated acetate O atom forms an intramolecular hydrogen bond with the oxime O atom of the hydrazone ligand.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804033495/kp6029sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804033495/kp6029Isup2.hkl |
CCDC reference: 262273
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean (C-C) = 0.004 Å
- R factor = 0.041
- wR factor = 0.104
- Data-to-parameter ratio = 17.4
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C6 - C7 .. 5.20 su
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: RAPID-AUTO (Rigaku Corporation, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
(Acetato-κO)[diacetyl monooxime (4-methoxybenzoyl)hydrazonato-
κ3O,N,N']bis(pyridine-κN)nickel(II) top
Crystal data top
[Ni(C12H14N3O3)(C2H3O2)(C5H5N)2] | Z = 2 |
Mr = 524.20 | F(000) = 548 |
Triclinic, P1 | Dx = 1.400 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 8.1027 (16) Å | Cell parameters from 10312 reflections |
b = 12.668 (3) Å | θ = 3.0–27.4° |
c = 13.436 (3) Å | µ = 0.82 mm−1 |
α = 110.74 (3)° | T = 296 K |
β = 92.41 (3)° | Prism, brown |
γ = 103.37 (3)° | 0.34 × 0.25 × 0.13 mm |
V = 1243.1 (6) Å3 |
Data collection top
Rigaku R-AXIS RAPID diffractometer | 5635 independent reflections |
Radiation source: fine-focus sealed tube | 4089 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.028 |
Detector resolution: 10 pixels mm-1 | θmax = 27.5°, θmin = 3.0° |
ω scan | h = −10→10 |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | k = −16→16 |
Tmin = 0.767, Tmax = 0.900 | l = −17→17 |
12322 measured reflections |
Refinement top
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)] = 0.041 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.104 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0535P)2 + 0.0609P] where P = (Fo2 + 2Fc2)/3 |
5635 reflections | (Δ/σ)max = 0.001 |
323 parameters | Δρmax = 0.28 e Å−3 |
1 restraint | Δρmin = −0.21 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Ni1 | 0.20474 (4) | 0.64634 (3) | 0.32097 (2) | 0.04187 (11) | |
N1 | 0.3677 (3) | 0.60966 (18) | 0.20229 (14) | 0.0480 (5) | |
N2 | 0.4297 (2) | 0.75760 (17) | 0.39396 (14) | 0.0420 (4) | |
N3 | 0.4449 (2) | 0.82680 (18) | 0.50125 (14) | 0.0446 (4) | |
N4 | 0.1469 (2) | 0.76983 (18) | 0.25929 (15) | 0.0462 (5) | |
N5 | 0.2551 (2) | 0.51253 (18) | 0.37233 (14) | 0.0466 (5) | |
O1 | 0.3282 (2) | 0.52721 (18) | 0.09877 (13) | 0.0626 (5) | |
O2 | 0.15253 (19) | 0.73611 (14) | 0.47367 (11) | 0.0459 (4) | |
O3 | 0.2455 (3) | 1.0180 (2) | 0.97390 (14) | 0.0811 (6) | |
O4 | −0.0331 (2) | 0.54286 (16) | 0.25803 (13) | 0.0535 (4) | |
O5 | 0.0240 (3) | 0.4201 (2) | 0.10706 (16) | 0.0815 (6) | |
C1 | 0.6549 (4) | 0.6686 (3) | 0.1552 (2) | 0.0686 (8) | |
C2 | 0.5226 (3) | 0.6763 (2) | 0.22897 (18) | 0.0479 (6) | |
C3 | 0.5610 (3) | 0.7611 (2) | 0.34145 (18) | 0.0458 (5) | |
C4 | 0.7356 (3) | 0.8382 (3) | 0.3877 (2) | 0.0652 (7) | |
C5 | 0.2897 (3) | 0.8044 (2) | 0.53332 (17) | 0.0414 (5) | |
C6 | 0.2833 (3) | 0.8640 (2) | 0.64942 (17) | 0.0418 (5) | |
C7 | 0.1518 (3) | 0.8179 (2) | 0.69751 (18) | 0.0504 (6) | |
C8 | 0.1456 (3) | 0.8704 (2) | 0.80595 (19) | 0.0563 (6) | |
C9 | 0.2682 (3) | 0.9725 (2) | 0.86799 (18) | 0.0547 (6) | |
C10 | 0.3972 (3) | 1.0195 (3) | 0.8217 (2) | 0.0606 (7) | |
C11 | 0.4066 (3) | 0.9653 (2) | 0.71324 (19) | 0.0543 (6) | |
C12 | 0.3600 (5) | 1.1284 (3) | 1.0389 (2) | 0.1004 (13) | |
C13 | 0.1593 (3) | 0.8807 (2) | 0.3211 (2) | 0.0521 (6) | |
C14 | 0.1337 (4) | 0.9628 (3) | 0.2818 (2) | 0.0632 (7) | |
C15 | 0.0955 (4) | 0.9289 (3) | 0.1716 (2) | 0.0639 (7) | |
C16 | 0.0827 (4) | 0.8161 (3) | 0.1074 (2) | 0.0623 (7) | |
C17 | 0.1076 (3) | 0.7386 (2) | 0.15243 (19) | 0.0533 (6) | |
C18 | 0.2116 (3) | 0.5068 (2) | 0.46464 (19) | 0.0543 (6) | |
C19 | 0.2395 (4) | 0.4231 (3) | 0.5023 (2) | 0.0636 (7) | |
C20 | 0.3211 (3) | 0.3433 (3) | 0.4429 (2) | 0.0622 (7) | |
C21 | 0.3650 (4) | 0.3470 (3) | 0.3480 (2) | 0.0675 (7) | |
C22 | 0.3311 (4) | 0.4316 (3) | 0.3151 (2) | 0.0635 (7) | |
C23 | −0.0743 (3) | 0.4543 (2) | 0.1725 (2) | 0.0554 (6) | |
C24 | −0.2598 (4) | 0.3834 (3) | 0.1477 (3) | 0.0768 (9) | |
H1A | 0.7463 | 0.6453 | 0.1822 | 0.103* | |
H1B | 0.6993 | 0.7437 | 0.1506 | 0.103* | |
H1C | 0.6046 | 0.6120 | 0.0851 | 0.103* | |
H4A | 0.7324 | 0.8937 | 0.4577 | 0.098* | |
H4B | 0.7765 | 0.8790 | 0.3419 | 0.098* | |
H4C | 0.8110 | 0.7916 | 0.3935 | 0.098* | |
H7 | 0.0670 | 0.7509 | 0.6561 | 0.060* | |
H8 | 0.0589 | 0.8374 | 0.8376 | 0.068* | |
H10 | 0.4791 | 1.0882 | 0.8630 | 0.073* | |
H11 | 0.4965 | 0.9970 | 0.6828 | 0.065* | |
H12A | 0.4747 | 1.1203 | 1.0435 | 0.151* | |
H12B | 0.3273 | 1.1542 | 1.1096 | 0.151* | |
H12C | 0.3550 | 1.1848 | 1.0072 | 0.151* | |
H13 | 0.1868 | 0.9037 | 0.3949 | 0.063* | |
H14 | 0.1418 | 1.0391 | 0.3278 | 0.076* | |
H15 | 0.0790 | 0.9825 | 0.1420 | 0.077* | |
H16 | 0.0571 | 0.7917 | 0.0333 | 0.075* | |
H17 | 0.0970 | 0.6615 | 0.1077 | 0.064* | |
H18 | 0.1594 | 0.5622 | 0.5065 | 0.065* | |
H19 | 0.2036 | 0.4211 | 0.5666 | 0.076* | |
H20 | 0.3458 | 0.2878 | 0.4673 | 0.075* | |
H21 | 0.4178 | 0.2925 | 0.3052 | 0.081* | |
H22 | 0.3624 | 0.4328 | 0.2496 | 0.076* | |
H24A | −0.3113 | 0.3999 | 0.2127 | 0.115* | |
H24B | −0.2652 | 0.3015 | 0.1174 | 0.115* | |
H24C | −0.3205 | 0.4038 | 0.0973 | 0.115* | |
H25 | 0.2236 (18) | 0.490 (3) | 0.089 (3) | 0.094* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Ni1 | 0.03947 (17) | 0.04536 (19) | 0.03871 (16) | 0.01130 (13) | 0.00858 (11) | 0.01287 (12) |
N1 | 0.0562 (12) | 0.0521 (13) | 0.0391 (9) | 0.0218 (10) | 0.0149 (8) | 0.0154 (8) |
N2 | 0.0416 (10) | 0.0455 (12) | 0.0411 (9) | 0.0136 (8) | 0.0098 (7) | 0.0171 (8) |
N3 | 0.0413 (10) | 0.0471 (12) | 0.0436 (10) | 0.0105 (9) | 0.0090 (8) | 0.0152 (8) |
N4 | 0.0386 (10) | 0.0501 (13) | 0.0507 (11) | 0.0128 (9) | 0.0077 (8) | 0.0188 (9) |
N5 | 0.0426 (10) | 0.0481 (12) | 0.0466 (10) | 0.0100 (9) | 0.0062 (8) | 0.0161 (9) |
O1 | 0.0694 (12) | 0.0670 (13) | 0.0412 (9) | 0.0194 (10) | 0.0145 (8) | 0.0065 (8) |
O2 | 0.0366 (8) | 0.0516 (10) | 0.0410 (8) | 0.0063 (7) | 0.0088 (6) | 0.0101 (7) |
O3 | 0.0979 (16) | 0.0849 (16) | 0.0392 (9) | 0.0066 (13) | 0.0120 (10) | 0.0090 (9) |
O4 | 0.0448 (9) | 0.0523 (11) | 0.0551 (10) | 0.0056 (8) | 0.0027 (7) | 0.0153 (8) |
O5 | 0.0706 (13) | 0.0749 (15) | 0.0659 (12) | 0.0008 (11) | 0.0138 (10) | −0.0014 (10) |
C1 | 0.0692 (18) | 0.077 (2) | 0.0697 (17) | 0.0273 (16) | 0.0379 (14) | 0.0307 (15) |
C2 | 0.0466 (13) | 0.0557 (16) | 0.0519 (13) | 0.0211 (12) | 0.0179 (10) | 0.0266 (11) |
C3 | 0.0400 (12) | 0.0501 (15) | 0.0548 (13) | 0.0152 (10) | 0.0141 (10) | 0.0254 (11) |
C4 | 0.0452 (14) | 0.080 (2) | 0.0677 (16) | 0.0032 (13) | 0.0137 (12) | 0.0321 (15) |
C5 | 0.0428 (12) | 0.0410 (13) | 0.0421 (11) | 0.0140 (10) | 0.0080 (9) | 0.0154 (9) |
C6 | 0.0387 (11) | 0.0447 (14) | 0.0437 (11) | 0.0128 (10) | 0.0078 (9) | 0.0170 (9) |
C7 | 0.0500 (13) | 0.0491 (15) | 0.0444 (12) | 0.0091 (11) | 0.0069 (10) | 0.0109 (10) |
C8 | 0.0563 (15) | 0.0596 (17) | 0.0503 (13) | 0.0089 (13) | 0.0146 (11) | 0.0206 (12) |
C9 | 0.0610 (16) | 0.0610 (17) | 0.0382 (12) | 0.0162 (13) | 0.0048 (11) | 0.0143 (11) |
C10 | 0.0544 (15) | 0.0571 (17) | 0.0516 (14) | 0.0007 (13) | −0.0012 (11) | 0.0079 (12) |
C11 | 0.0495 (14) | 0.0561 (16) | 0.0488 (13) | 0.0066 (12) | 0.0070 (10) | 0.0141 (11) |
C12 | 0.134 (3) | 0.088 (3) | 0.0431 (16) | 0.004 (2) | 0.0046 (18) | −0.0011 (15) |
C13 | 0.0499 (14) | 0.0510 (16) | 0.0525 (13) | 0.0124 (12) | 0.0063 (10) | 0.0164 (11) |
C14 | 0.0657 (17) | 0.0470 (16) | 0.0783 (19) | 0.0158 (13) | 0.0150 (14) | 0.0240 (14) |
C15 | 0.0591 (16) | 0.067 (2) | 0.0814 (19) | 0.0197 (14) | 0.0142 (14) | 0.0446 (16) |
C16 | 0.0648 (16) | 0.074 (2) | 0.0576 (15) | 0.0236 (15) | 0.0099 (12) | 0.0323 (15) |
C17 | 0.0532 (14) | 0.0559 (16) | 0.0495 (13) | 0.0154 (12) | 0.0065 (11) | 0.0177 (11) |
C18 | 0.0563 (15) | 0.0545 (16) | 0.0540 (14) | 0.0125 (12) | 0.0156 (11) | 0.0228 (12) |
C19 | 0.0702 (18) | 0.0654 (19) | 0.0582 (15) | 0.0112 (15) | 0.0095 (13) | 0.0306 (14) |
C20 | 0.0572 (15) | 0.0594 (18) | 0.0743 (18) | 0.0094 (14) | −0.0051 (13) | 0.0355 (15) |
C21 | 0.078 (2) | 0.0622 (19) | 0.0729 (18) | 0.0330 (16) | 0.0176 (15) | 0.0282 (15) |
C22 | 0.083 (2) | 0.0613 (18) | 0.0554 (15) | 0.0311 (16) | 0.0206 (13) | 0.0239 (13) |
C23 | 0.0577 (15) | 0.0483 (16) | 0.0528 (14) | 0.0065 (12) | −0.0020 (12) | 0.0158 (12) |
C24 | 0.0600 (17) | 0.063 (2) | 0.087 (2) | −0.0032 (15) | 0.0000 (15) | 0.0175 (16) |
Geometric parameters (Å, º) top
Ni1—N2 | 1.988 (2) | C7—C8 | 1.380 (3) |
Ni1—O4 | 2.0144 (18) | C7—H7 | 0.9300 |
Ni1—O2 | 2.0794 (16) | C8—C9 | 1.388 (4) |
Ni1—N1 | 2.107 (2) | C8—H8 | 0.9300 |
Ni1—N4 | 2.140 (2) | C9—C10 | 1.366 (4) |
Ni1—N5 | 2.154 (2) | C10—C11 | 1.388 (3) |
N1—C2 | 1.294 (3) | C10—H10 | 0.9300 |
N2—C3 | 1.302 (3) | C11—H11 | 0.9300 |
N2—N3 | 1.379 (3) | C12—H12A | 0.9600 |
N3—C5 | 1.347 (3) | C12—H12B | 0.9600 |
O1—N1 | 1.381 (3) | C12—H12C | 0.9600 |
O2—C5 | 1.271 (3) | C13—C14 | 1.373 (4) |
N4—C13 | 1.331 (3) | C13—H13 | 0.9300 |
N4—C17 | 1.349 (3) | C14—C15 | 1.387 (4) |
N5—C18 | 1.325 (3) | C14—H14 | 0.9300 |
N5—C22 | 1.340 (3) | C15—C16 | 1.359 (4) |
O1—H25 | 0.85 (3) | C15—H15 | 0.9300 |
O3—C9 | 1.372 (3) | C16—C17 | 1.368 (4) |
O3—C12 | 1.431 (4) | C16—H16 | 0.9300 |
O4—C23 | 1.254 (3) | C17—H17 | 0.9300 |
O5—C23 | 1.242 (3) | C18—C19 | 1.383 (4) |
C1—C2 | 1.487 (3) | C18—H18 | 0.9300 |
C1—H1A | 0.9600 | C19—C20 | 1.371 (4) |
C1—H1B | 0.9600 | C19—H19 | 0.9300 |
C1—H1C | 0.9600 | C20—C21 | 1.352 (4) |
C2—C3 | 1.480 (3) | C20—H20 | 0.9300 |
C3—C4 | 1.483 (3) | C21—C22 | 1.371 (4) |
C4—H4A | 0.9600 | C21—H21 | 0.9300 |
C4—H4B | 0.9600 | C22—H22 | 0.9300 |
C4—H4C | 0.9600 | C23—C24 | 1.517 (4) |
C5—C6 | 1.482 (3) | C24—H24A | 0.9600 |
C6—C7 | 1.390 (3) | C24—H24B | 0.9600 |
C6—C11 | 1.391 (3) | C24—H24C | 0.9600 |
N1—Ni1—N4 | 87.34 (8) | C7—C8—C9 | 120.2 (2) |
N1—Ni1—N5 | 90.85 (8) | C7—C8—H8 | 119.9 |
N2—Ni1—N1 | 76.48 (8) | C8—C7—C6 | 120.7 (2) |
N2—Ni1—N4 | 90.22 (8) | C8—C7—H7 | 119.6 |
N2—Ni1—N5 | 92.84 (8) | C9—O3—C12 | 116.7 (2) |
N2—Ni1—O2 | 76.81 (7) | C9—C8—H8 | 119.9 |
N2—Ni1—O4 | 174.67 (7) | C9—C10—C11 | 120.2 (2) |
N4—Ni1—N5 | 175.99 (7) | C9—C10—H10 | 119.9 |
O2—Ni1—N1 | 153.30 (8) | C10—C9—O3 | 125.5 (2) |
O2—Ni1—N4 | 92.89 (7) | C10—C9—C8 | 119.7 (2) |
O2—Ni1—N5 | 90.34 (7) | C10—C11—C6 | 120.8 (2) |
O4—Ni1—N1 | 108.63 (8) | C10—C11—H11 | 119.6 |
O4—Ni1—N4 | 88.55 (8) | C11—C6—C5 | 122.0 (2) |
O4—Ni1—N5 | 88.64 (8) | C11—C10—H10 | 119.9 |
O4—Ni1—O2 | 98.06 (7) | C13—N4—C17 | 117.1 (2) |
N1—O1—H25 | 109 (2) | C13—N4—Ni1 | 122.92 (16) |
N1—C2—C1 | 123.8 (2) | C13—C14—C15 | 118.2 (3) |
N1—C2—C3 | 114.5 (2) | C13—C14—H14 | 120.9 |
N2—C3—C2 | 113.5 (2) | C14—C13—H13 | 118.2 |
N2—C3—C4 | 124.9 (2) | C14—C15—H15 | 120.6 |
N3—N2—Ni1 | 118.89 (14) | C15—C14—H14 | 120.9 |
N3—C5—C6 | 115.65 (19) | C15—C16—C17 | 119.6 (3) |
N4—C13—C14 | 123.5 (2) | C15—C16—H16 | 120.2 |
N4—C13—H13 | 118.2 | C16—C15—C14 | 118.9 (3) |
N4—C17—C16 | 122.6 (3) | C16—C15—H15 | 120.6 |
N4—C17—H17 | 118.7 | C16—C17—H17 | 118.7 |
N5—C18—C19 | 123.7 (3) | C17—N4—Ni1 | 119.77 (17) |
N5—C18—H18 | 118.2 | C17—C16—H16 | 120.2 |
N5—C22—C21 | 123.4 (2) | C18—N5—Ni1 | 120.63 (18) |
N5—C22—H22 | 118.3 | C18—N5—C22 | 116.2 (2) |
O1—N1—Ni1 | 128.27 (16) | C18—C19—H19 | 120.7 |
O2—C5—N3 | 125.85 (19) | C19—C18—H18 | 118.2 |
O2—C5—C6 | 118.48 (19) | C19—C20—H20 | 120.7 |
O3—C9—C8 | 114.7 (2) | C20—C19—C18 | 118.6 (3) |
O3—C12—H12A | 109.5 | C20—C19—H19 | 120.7 |
O3—C12—H12B | 109.5 | C20—C21—C22 | 119.6 (3) |
O3—C12—H12C | 109.5 | C20—C21—H21 | 120.2 |
O4—C23—C24 | 116.8 (3) | C21—C20—C19 | 118.5 (3) |
O5—C23—O4 | 125.5 (2) | C21—C20—H20 | 120.7 |
O5—C23—C24 | 117.7 (2) | C21—C22—H22 | 118.3 |
C2—N1—Ni1 | 115.42 (16) | C22—N5—Ni1 | 123.20 (17) |
C2—N1—O1 | 116.24 (19) | C22—C21—H21 | 120.2 |
C2—C1—H1A | 109.5 | C23—O4—Ni1 | 126.71 (17) |
C2—C1—H1B | 109.5 | C23—C24—H24A | 109.5 |
C2—C1—H1C | 109.5 | C23—C24—H24B | 109.5 |
C2—C3—C4 | 121.6 (2) | C23—C24—H24C | 109.5 |
C3—N2—Ni1 | 119.93 (16) | H1A—C1—H1B | 109.5 |
C3—N2—N3 | 121.13 (19) | H1A—C1—H1C | 109.5 |
C3—C2—C1 | 121.6 (2) | H1B—C1—H1C | 109.5 |
C3—C4—H4A | 109.5 | H4A—C4—H4B | 109.5 |
C3—C4—H4B | 109.5 | H4A—C4—H4C | 109.5 |
C3—C4—H4C | 109.5 | H4B—C4—H4C | 109.5 |
C5—N3—N2 | 107.71 (18) | H12A—C12—H12B | 109.5 |
C5—O2—Ni1 | 110.30 (13) | H12A—C12—H12C | 109.5 |
C6—C7—H7 | 119.6 | H12B—C12—H12C | 109.5 |
C6—C11—H11 | 119.6 | H24A—C24—H24B | 109.5 |
C7—C6—C11 | 118.2 (2) | H24A—C24—H24C | 109.5 |
C7—C6—C5 | 119.8 (2) | H24B—C24—H24C | 109.5 |
N2—Ni1—O2—C5 | −5.62 (15) | O1—N1—C2—C1 | 0.4 (4) |
O4—Ni1—O2—C5 | 175.90 (15) | Ni1—N1—C2—C2 | 176.86 (19) |
N1—Ni1—O2—C5 | −5.3 (2) | Ni1—N2—C3—C2 | −0.6 (3) |
N4—Ni1—O2—C5 | −95.16 (16) | N3—N2—C3—C4 | −1.1 (4) |
N5—Ni1—O2—C5 | 87.23 (15) | Ni1—N2—C3—C4 | −178.6 (2) |
O2—Ni1—O4—C23 | −166.2 (2) | N1—C2—C3—N2 | −2.6 (3) |
N1—Ni1—O4—C23 | 14.4 (2) | C1—C2—C3—N2 | 178.7 (2) |
N4—Ni1—O4—C23 | 101.1 (2) | N1—C2—C3—C4 | 175.5 (2) |
N5—Ni1—O4—C23 | −76.0 (2) | C1—C2—C3—C4 | −3.3 (4) |
N2—Ni1—N1—C2 | −3.57 (17) | Ni1—O2—C5—N3 | 6.9 (3) |
O4—Ni1—N1—C2 | 174.86 (16) | Ni1—O2—C5—C6 | −171.69 (16) |
O2—Ni1—N1—C2 | −3.8 (3) | N2—N3—C5—O2 | −3.3 (3) |
N4—Ni1—N1—C2 | 87.29 (18) | N2—N3—C5—C6 | 175.32 (18) |
N5—Ni1—N1—C2 | −96.29 (18) | O2—C5—C6—C7 | 21.6 (3) |
N2—Ni1—N1—O1 | 179.4 (2) | N3—C5—C6—C7 | −157.1 (2) |
O4—Ni1—N1—O1 | −2.1 (2) | O2—C5—C6—C11 | −159.0 (2) |
O2—Ni1—N1—O1 | 179.17 (16) | N3—C5—C6—C11 | 22.2 (3) |
N4—Ni1—N1—O1 | −89.70 (19) | C11—C6—C7—C8 | −0.9 (4) |
N5—Ni1—N1—O1 | 86.72 (19) | C5—C6—C7—C8 | 178.5 (2) |
O2—Ni1—N2—C3 | −177.99 (19) | C6—C7—C8—C9 | 2.0 (4) |
N1—Ni1—N2—C3 | 2.14 (17) | C12—O3—C9—C10 | 4.7 (4) |
N4—Ni1—N2—C3 | −85.07 (18) | C12—O3—C9—C8 | −174.7 (3) |
N5—Ni1—N2—C3 | 92.33 (18) | C7—C8—C9—C10 | −1.3 (4) |
O2—Ni1—N2—N3 | 4.52 (15) | C7—C8—C9—O3 | 178.3 (2) |
N1—Ni1—N2—N3 | −175.36 (17) | O3—C9—C10—C11 | −180.0 (3) |
N4—Ni1—N2—N3 | 97.43 (16) | C8—C9—C10—C11 | −0.5 (4) |
N5—Ni1—N2—N3 | −85.16 (16) | C9—C10—C11—C6 | 1.6 (4) |
C3—N2—N3—C5 | −180.0 (2) | C7—C6—C11—C10 | −0.8 (4) |
Ni1—N2—N3—C5 | −2.5 (2) | C5—C6—C11—C10 | 179.8 (2) |
N2—Ni1—N4—C13 | −51.35 (19) | C17—N4—C13—C14 | 0.3 (3) |
O4—Ni1—N4—C13 | 123.46 (19) | Ni1—N4—C13—C14 | 175.48 (19) |
O2—Ni1—N4—C13 | 25.45 (18) | N4—C13—C14—C15 | −1.1 (4) |
N1—Ni1—N4—C13 | −127.81 (19) | C13—C14—C15—C16 | 0.9 (4) |
N2—Ni1—N4—C17 | 123.72 (18) | C14—C15—C16—C17 | 0.0 (4) |
O4—Ni1—N4—C17 | −61.47 (18) | C13—N4—C17—C16 | 0.7 (3) |
O2—Ni1—N4—C17 | −159.48 (17) | Ni1—N4—C17—C16 | −174.70 (19) |
N1—Ni1—N4—C17 | 47.26 (18) | C15—C16—C17—N4 | −0.8 (4) |
N2—Ni1—N5—C18 | 89.76 (19) | C22—N5—C18—C19 | −0.5 (4) |
O4—Ni1—N5—C18 | −85.11 (19) | Ni1—N5—C18—C19 | 179.8 (2) |
O2—Ni1—N5—C18 | 12.95 (18) | N5—C18—C19—C20 | 2.0 (4) |
N1—Ni1—N5—C18 | 166.27 (19) | C18—C19—C20—C21 | −2.5 (4) |
N2—Ni1—N5—C22 | −90.0 (2) | C19—C20—C21—C22 | 1.7 (4) |
O4—Ni1—N5—C22 | 95.1 (2) | C18—N5—C22—C21 | −0.5 (4) |
O2—Ni1—N5—C22 | −166.8 (2) | Ni1—N5—C22—C21 | 179.3 (2) |
N1—Ni1—N5—C22 | −13.5 (2) | C20—C21—C22—N5 | −0.1 (5) |
O1—N1—C2—C3 | −178.32 (19) | Ni1—O4—C23—O5 | −6.0 (4) |
Ni1—N1—C2—C3 | 4.3 (3) | Ni1—O4—C23—C24 | 173.90 (19) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1—H25···O5 | 0.85 (3) | 1.73 (3) | 2.552 (3) | 163 (3) |
Subscribe to Acta Crystallographica Section E: Crystallographic Communications
The full text of this article is available to subscribers to the journal.
- Information on subscribing
- Sample issue
- If you have already subscribed, you may need to register