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The crystal structure of the title complex, {[Zn(C
10H
8N
2)(H
2O)
4](C
9H
6O
5)·H
2O}
n, is built of infinite polymeric cationic {[Zn(4,4′-bipy)(H
2O)
4]
2+}
n chains (4,4′-bipy = 4,4′-bipyridine), 3-carboxylatophenoxyacetate dianions (3-CPOA
2−) and solvent water molecules. Both symmetry-independent Zn atoms and 4,4′-bipy ligands occupy special positions on crystallographic inversion centres and form two symmetry-independent cationic chains stretching along the
c axis of the crystal. Each of the two Zn atoms has an octahedral coordination environment formed by the O atoms of four water molecules and the N atoms of two 4,4′-bipy ligands in
trans positions with respect to each other. The 4,4′-bipy ligands perform a bridging function, linking together two adjacent Zn atoms in the chain. The shortest Zn
Zn separation within the chains is equal to the
c translation [11.425 (2) Å]. The chains are further linked into a three-dimensional supramolecular network
via hydrogen-bonding and π–π stacking interactions, involving the dianion and the coordinated and uncoordinated water molecules.
Supporting information
CCDC reference: 262245
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.004 Å
- R factor = 0.040
- wR factor = 0.089
- Data-to-parameter ratio = 15.2
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.48
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.20
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 10
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
3 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
2 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
1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: RAPID-AUTO (Rigaku, 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.
catena-Poly[[[tetraaquazinc(II)]-µ-4,4'-bipyridine-
κ2N:
N'] 3-carboxylatophenoxyacetate monohydrate]
top
Crystal data top
[Zn(C10H8N2)(H2O)4](C9H6O5)·H2O | Z = 2 |
Mr = 505.79 | F(000) = 524 |
Triclinic, P1 | Dx = 1.568 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.3049 (8) Å | Cell parameters from 10081 reflections |
b = 11.1595 (15) Å | θ = 3.9–27.5° |
c = 11.4248 (18) Å | µ = 1.20 mm−1 |
α = 108.526 (5)° | T = 293 K |
β = 106.493 (8)° | Prism, colourless |
γ = 90.737 (6)° | 0.36 × 0.25 × 0.19 mm |
V = 1071.6 (2) Å3 | |
Data collection top
Rigaku RAXIS-RAPID diffractometer | 4885 independent reflections |
Radiation source: fine-focus sealed tube | 3517 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.030 |
Detector resolution: 10 pixels mm-1 | θmax = 27.5°, θmin = 3.2° |
ω scans | h = −11→12 |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | k = −14→13 |
Tmin = 0.671, Tmax = 0.803 | l = −14→14 |
10614 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)] = 0.040 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.089 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0418P)2 + 0.2994P] where P = (Fo2 + 2Fc2)/3 |
4885 reflections | (Δ/σ)max < 0.001 |
322 parameters | Δρmax = 0.42 e Å−3 |
15 restraints | Δρmin = −0.25 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Zn1 | 0.0000 | 0.5000 | 0.0000 | 0.02750 (11) | |
Zn2 | 0.5000 | 0.0000 | 0.0000 | 0.02771 (11) | |
N1 | −0.0041 (2) | 0.51270 (19) | 0.19148 (18) | 0.0285 (4) | |
N2 | 0.4973 (2) | 0.0076 (2) | 0.19073 (19) | 0.0321 (5) | |
O1 | 0.5581 (2) | 0.34708 (18) | 0.94939 (18) | 0.0423 (5) | |
O2 | 0.31193 (19) | 0.28059 (17) | 0.87091 (17) | 0.0391 (4) | |
O3 | 0.2996 (2) | 0.28290 (18) | 0.63768 (18) | 0.0422 (5) | |
O4 | −0.0626 (2) | 0.16958 (18) | 0.09313 (18) | 0.0417 (5) | |
O5 | −0.0674 (2) | 0.04630 (19) | 0.20931 (18) | 0.0468 (5) | |
O1W | −0.0475 (2) | 0.30184 (17) | −0.06451 (18) | 0.0424 (5) | |
O2W | 0.23530 (19) | 0.48312 (18) | 0.05795 (17) | 0.0355 (4) | |
O3W | 0.30601 (19) | 0.09452 (18) | −0.02016 (17) | 0.0340 (4) | |
O4W | 0.3641 (2) | −0.18020 (17) | −0.08314 (17) | 0.0354 (4) | |
O5W | 0.0068 (2) | 0.1589 (2) | −0.2946 (2) | 0.0518 (5) | |
C1 | −0.1190 (3) | 0.4549 (3) | 0.2080 (2) | 0.0343 (6) | |
C2 | −0.1221 (3) | 0.4479 (3) | 0.3255 (2) | 0.0365 (6) | |
C3 | −0.0014 (3) | 0.5043 (2) | 0.4360 (2) | 0.0272 (5) | |
C4 | 0.1167 (3) | 0.5671 (3) | 0.4192 (2) | 0.0408 (7) | |
C5 | 0.1112 (3) | 0.5688 (3) | 0.2976 (2) | 0.0403 (7) | |
C6 | 0.6224 (3) | 0.0430 (3) | 0.2920 (2) | 0.0411 (7) | |
C7 | 0.6282 (3) | 0.0421 (3) | 0.4133 (2) | 0.0413 (7) | |
C8 | 0.4998 (3) | 0.0019 (2) | 0.4356 (2) | 0.0294 (5) | |
C9 | 0.3691 (3) | −0.0341 (3) | 0.3302 (2) | 0.0349 (6) | |
C10 | 0.3730 (3) | −0.0292 (3) | 0.2119 (2) | 0.0362 (6) | |
C11 | 0.4331 (3) | 0.3190 (2) | 0.8615 (2) | 0.0322 (5) | |
C12 | 0.4364 (3) | 0.3372 (3) | 0.7365 (3) | 0.0374 (6) | |
C13 | 0.2895 (3) | 0.2807 (2) | 0.5145 (2) | 0.0335 (6) | |
C14 | 0.1592 (3) | 0.2151 (2) | 0.4189 (3) | 0.0325 (5) | |
C15 | 0.1347 (3) | 0.2086 (2) | 0.2917 (2) | 0.0306 (5) | |
C16 | 0.2431 (3) | 0.2679 (3) | 0.2596 (3) | 0.0396 (6) | |
C17 | 0.3753 (3) | 0.3287 (3) | 0.3546 (3) | 0.0472 (7) | |
C18 | 0.3996 (3) | 0.3367 (3) | 0.4821 (3) | 0.0420 (6) | |
C19 | −0.0074 (3) | 0.1361 (2) | 0.1897 (2) | 0.0318 (5) | |
H1 | −0.2023 | 0.4170 | 0.1359 | 0.041* | |
H2 | −0.2053 | 0.4052 | 0.3308 | 0.044* | |
H4 | 0.1999 | 0.6082 | 0.4901 | 0.049* | |
H5 | 0.1925 | 0.6113 | 0.2895 | 0.048* | |
H6 | 0.7105 | 0.0697 | 0.2798 | 0.049* | |
H7 | 0.7184 | 0.0685 | 0.4805 | 0.050* | |
H9 | 0.2795 | −0.0614 | 0.3395 | 0.042* | |
H10 | 0.2839 | −0.0529 | 0.1433 | 0.043* | |
H12A | 0.4520 | 0.4273 | 0.7501 | 0.045* | |
H12B | 0.5197 | 0.2976 | 0.7105 | 0.045* | |
H14 | 0.0874 | 0.1748 | 0.4404 | 0.039* | |
H16 | 0.2266 | 0.2666 | 0.1750 | 0.047* | |
H17 | 0.4496 | 0.3651 | 0.3324 | 0.057* | |
H18 | 0.4886 | 0.3790 | 0.5453 | 0.050* | |
H1W1 | −0.034 (4) | 0.266 (3) | −0.008 (2) | 0.064* | |
H1W2 | −0.030 (4) | 0.255 (2) | −0.1317 (17) | 0.064* | |
H2W1 | 0.296 (3) | 0.5419 (16) | 0.060 (3) | 0.053* | |
H2W2 | 0.257 (3) | 0.4119 (12) | 0.017 (3) | 0.053* | |
H3W1 | 0.314 (3) | 0.1576 (17) | −0.045 (3) | 0.051* | |
H3W2 | 0.227 (2) | 0.045 (2) | −0.070 (2) | 0.051* | |
H4W1 | 0.2736 (15) | −0.171 (3) | −0.085 (3) | 0.053* | |
H4W2 | 0.397 (3) | −0.232 (2) | −0.045 (3) | 0.053* | |
H5W1 | 0.089 (2) | 0.195 (3) | −0.292 (4) | 0.078* | |
H5W2 | 0.021 (3) | 0.0874 (18) | −0.284 (4) | 0.078* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Zn1 | 0.0339 (2) | 0.0334 (2) | 0.0179 (2) | −0.00071 (16) | 0.00882 (16) | 0.01161 (17) |
Zn2 | 0.0344 (2) | 0.0327 (2) | 0.0179 (2) | 0.00044 (16) | 0.00749 (16) | 0.01162 (17) |
N1 | 0.0340 (11) | 0.0346 (12) | 0.0202 (11) | 0.0034 (9) | 0.0093 (8) | 0.0125 (9) |
N2 | 0.0383 (12) | 0.0388 (13) | 0.0228 (11) | 0.0036 (9) | 0.0109 (9) | 0.0138 (9) |
O1 | 0.0360 (10) | 0.0524 (12) | 0.0377 (11) | −0.0059 (8) | −0.0006 (8) | 0.0250 (9) |
O2 | 0.0346 (10) | 0.0445 (11) | 0.0396 (11) | −0.0032 (8) | 0.0086 (8) | 0.0188 (9) |
O3 | 0.0367 (10) | 0.0587 (13) | 0.0314 (10) | −0.0052 (9) | 0.0043 (8) | 0.0209 (9) |
O4 | 0.0438 (11) | 0.0508 (12) | 0.0362 (11) | 0.0006 (8) | 0.0083 (8) | 0.0261 (9) |
O5 | 0.0457 (11) | 0.0528 (12) | 0.0407 (11) | −0.0150 (9) | −0.0014 (8) | 0.0275 (10) |
O1W | 0.0700 (13) | 0.0322 (10) | 0.0316 (11) | 0.0011 (9) | 0.0228 (10) | 0.0132 (8) |
O2W | 0.0357 (10) | 0.0421 (11) | 0.0330 (10) | 0.0009 (8) | 0.0129 (8) | 0.0162 (9) |
O3W | 0.0352 (10) | 0.0378 (11) | 0.0301 (10) | 0.0024 (8) | 0.0080 (7) | 0.0146 (8) |
O4W | 0.0360 (10) | 0.0368 (11) | 0.0329 (10) | −0.0012 (8) | 0.0046 (8) | 0.0163 (8) |
O5W | 0.0465 (12) | 0.0516 (13) | 0.0595 (14) | 0.0055 (10) | 0.0121 (10) | 0.0250 (11) |
C1 | 0.0362 (14) | 0.0443 (16) | 0.0204 (13) | −0.0062 (11) | 0.0044 (10) | 0.0122 (11) |
C2 | 0.0359 (14) | 0.0510 (17) | 0.0261 (14) | −0.0053 (12) | 0.0086 (11) | 0.0186 (12) |
C3 | 0.0362 (13) | 0.0298 (13) | 0.0193 (13) | 0.0043 (10) | 0.0104 (10) | 0.0114 (10) |
C4 | 0.0393 (15) | 0.0569 (18) | 0.0225 (14) | −0.0123 (13) | 0.0050 (11) | 0.0128 (12) |
C5 | 0.0388 (15) | 0.0567 (18) | 0.0272 (14) | −0.0111 (12) | 0.0103 (11) | 0.0169 (13) |
C6 | 0.0356 (15) | 0.0644 (19) | 0.0282 (15) | −0.0037 (13) | 0.0130 (12) | 0.0194 (13) |
C7 | 0.0341 (15) | 0.069 (2) | 0.0226 (14) | −0.0027 (13) | 0.0056 (11) | 0.0203 (13) |
C8 | 0.0344 (13) | 0.0355 (14) | 0.0223 (13) | 0.0076 (10) | 0.0118 (11) | 0.0118 (11) |
C9 | 0.0322 (14) | 0.0502 (17) | 0.0267 (14) | 0.0022 (11) | 0.0117 (11) | 0.0163 (12) |
C10 | 0.0361 (14) | 0.0515 (17) | 0.0233 (14) | 0.0018 (12) | 0.0077 (11) | 0.0172 (12) |
C11 | 0.0354 (14) | 0.0276 (13) | 0.0348 (14) | 0.0029 (10) | 0.0084 (11) | 0.0140 (11) |
C12 | 0.0295 (13) | 0.0466 (16) | 0.0358 (15) | −0.0027 (11) | 0.0032 (11) | 0.0195 (13) |
C13 | 0.0354 (14) | 0.0363 (15) | 0.0307 (14) | 0.0035 (10) | 0.0098 (11) | 0.0139 (11) |
C14 | 0.0302 (13) | 0.0368 (14) | 0.0356 (14) | 0.0031 (10) | 0.0120 (10) | 0.0175 (11) |
C15 | 0.0316 (13) | 0.0291 (13) | 0.0322 (14) | 0.0070 (10) | 0.0102 (10) | 0.0112 (11) |
C16 | 0.0457 (16) | 0.0431 (16) | 0.0329 (14) | −0.0009 (12) | 0.0150 (12) | 0.0142 (12) |
C17 | 0.0409 (16) | 0.0585 (19) | 0.0432 (17) | −0.0120 (13) | 0.0153 (13) | 0.0167 (14) |
C18 | 0.0370 (15) | 0.0473 (17) | 0.0388 (16) | −0.0054 (12) | 0.0076 (11) | 0.0144 (13) |
C19 | 0.0339 (14) | 0.0344 (14) | 0.0300 (14) | 0.0045 (10) | 0.0107 (10) | 0.0140 (11) |
Geometric parameters (Å, º) top
Zn1—N1 | 2.1582 (18) | C1—C2 | 1.378 (3) |
Zn1—O1W | 2.0935 (18) | C1—H1 | 0.9300 |
Zn1—O2W | 2.1294 (17) | C2—C3 | 1.386 (3) |
Zn2—N2 | 2.1610 (19) | C2—H2 | 0.9300 |
Zn2—O3W | 2.0955 (17) | C3—C3iii | 1.488 (4) |
Zn2—O4W | 2.1408 (17) | C3—C4 | 1.386 (3) |
O1—C11 | 1.259 (3) | C4—C5 | 1.382 (3) |
O2—C11 | 1.246 (3) | C4—H4 | 0.9300 |
O4—C19 | 1.252 (3) | C5—H5 | 0.9300 |
O5—C19 | 1.251 (3) | C6—C7 | 1.375 (3) |
Zn1—N1i | 2.1582 (18) | C6—H6 | 0.9300 |
Zn1—O1Wi | 2.0935 (18) | C7—C8 | 1.388 (3) |
Zn1—O2Wi | 2.1294 (17) | C7—H7 | 0.9300 |
Zn2—N2ii | 2.1610 (19) | C8—C8iv | 1.484 (4) |
Zn2—O3Wii | 2.0955 (17) | C8—C9 | 1.392 (3) |
Zn2—O4Wii | 2.1408 (17) | C9—C10 | 1.380 (3) |
N1—C1 | 1.330 (3) | C9—H9 | 0.9300 |
N1—C5 | 1.333 (3) | C10—H10 | 0.9300 |
N2—C6 | 1.335 (3) | C11—C12 | 1.514 (3) |
N2—C10 | 1.333 (3) | C12—H12A | 0.9700 |
O3—C12 | 1.411 (3) | C12—H12B | 0.9700 |
O3—C13 | 1.376 (3) | C13—C14 | 1.384 (4) |
O1W—H1W1 | 0.84 (3) | C13—C18 | 1.386 (3) |
O1W—H1W2 | 0.84 (3) | C14—C15 | 1.384 (3) |
O2W—H2W1 | 0.85 (3) | C14—H14 | 0.9300 |
O2W—H2W2 | 0.84 (2) | C15—C16 | 1.391 (3) |
O3W—H3W1 | 0.85 (2) | C15—C19 | 1.503 (3) |
O3W—H3W2 | 0.85 (2) | C16—C17 | 1.380 (4) |
O4W—H4W1 | 0.85 (3) | C16—H16 | 0.9300 |
O4W—H4W2 | 0.84 (3) | C17—C18 | 1.382 (4) |
O5W—H5W1 | 0.85 (3) | C17—H17 | 0.9300 |
O5W—H5W2 | 0.85 (3) | C18—H18 | 0.9300 |
| | | |
N1i—Zn1—N1 | 180.00 (11) | O4Wii—Zn2—N2ii | 90.17 (7) |
N2—Zn2—N2ii | 180.00 (11) | O4W—Zn2—N2ii | 89.83 (7) |
O1Wi—Zn1—N1 | 89.08 (7) | C1—N1—Zn1 | 120.80 (16) |
O1W—Zn1—N1 | 90.92 (7) | C1—N1—C5 | 116.2 (2) |
O1Wi—Zn1—O1W | 180.0 | C1—C2—C3 | 120.2 (2) |
O1Wi—Zn1—O2W | 89.79 (8) | C1—C2—H2 | 119.9 |
O1W—Zn1—O2W | 90.21 (8) | C2—C1—H1 | 118.0 |
O2W—Zn1—N1 | 88.97 (7) | C2—C3—C3iii | 121.8 (3) |
O2Wi—Zn1—N1 | 91.03 (7) | C3—C2—H2 | 119.9 |
O2W—Zn1—O2Wi | 180.00 (3) | C3—C4—H4 | 119.9 |
O3W—Zn2—N2 | 89.68 (7) | C4—C3—C2 | 115.9 (2) |
O3Wii—Zn2—N2 | 90.32 (7) | C4—C3—C3iii | 122.3 (3) |
O3W—Zn2—O3Wii | 180.00 (10) | C4—C5—H5 | 118.2 |
O3W—Zn2—O4W | 90.62 (7) | C5—N1—Zn1 | 122.77 (16) |
O3Wii—Zn2—O4W | 89.38 (7) | C5—C4—C3 | 120.3 (2) |
O4Wii—Zn2—N2 | 89.83 (7) | C5—C4—H4 | 119.9 |
O4W—Zn2—N2 | 90.17 (7) | C6—N2—Zn2 | 121.50 (16) |
O4Wii—Zn2—O4W | 180.00 (6) | C6—C7—C8 | 120.1 (2) |
Zn1—O1W—H1W1 | 118 (2) | C6—C7—H7 | 119.9 |
Zn1—O1W—H1W2 | 122 (2) | C7—C6—H6 | 118.2 |
Zn1—O2W—H2W1 | 118.3 (19) | C7—C8—C8iv | 122.3 (3) |
Zn1—O2W—H2W2 | 112.7 (19) | C7—C8—C9 | 116.2 (2) |
Zn2—O3W—H3W1 | 112.8 (19) | C8—C7—H7 | 119.9 |
Zn2—O3W—H3W2 | 112.7 (19) | C8—C9—H9 | 120.1 |
Zn2—O4W—H4W1 | 111 (2) | C9—C8—C8iv | 121.5 (3) |
Zn2—O4W—H4W2 | 113 (2) | C9—C10—H10 | 118.2 |
N1—C1—C2 | 123.9 (2) | C10—N2—Zn2 | 121.82 (16) |
N1—C1—H1 | 118.0 | C10—N2—C6 | 116.6 (2) |
N1—C5—C4 | 123.5 (2) | C10—C9—C8 | 119.9 (2) |
N1—C5—H5 | 118.2 | C10—C9—H9 | 120.1 |
N2—C6—C7 | 123.6 (2) | C11—C12—H12A | 109.6 |
N2—C6—H6 | 118.2 | C11—C12—H12B | 109.6 |
N2—C10—C9 | 123.6 (2) | C13—O3—C12 | 117.76 (19) |
N2—C10—H10 | 118.2 | C13—C14—H14 | 119.6 |
O1—C11—C12 | 114.7 (2) | C13—C18—H18 | 120.4 |
O2—C11—O1 | 125.7 (2) | C14—C13—C18 | 119.9 (2) |
O2—C11—C12 | 119.6 (2) | C14—C15—C16 | 119.5 (2) |
O3—C12—C11 | 110.4 (2) | C14—C15—C19 | 119.6 (2) |
O3—C12—H12A | 109.6 | C15—C14—C13 | 120.7 (2) |
O3—C12—H12B | 109.6 | C15—C14—H14 | 119.6 |
O3—C13—C14 | 115.4 (2) | C15—C16—H16 | 120.4 |
O3—C13—C18 | 124.7 (2) | C16—C15—C19 | 120.9 (2) |
O4—C19—C15 | 119.8 (2) | C16—C17—C18 | 121.4 (2) |
O5—C19—O4 | 123.2 (2) | C16—C17—H17 | 119.3 |
O5—C19—C15 | 117.0 (2) | C17—C16—C15 | 119.3 (2) |
O1Wi—Zn1—O2Wi | 90.21 (8) | C17—C16—H16 | 120.4 |
O1W—Zn1—O2Wi | 89.79 (8) | C17—C18—C13 | 119.1 (2) |
O1Wi—Zn1—N1i | 90.92 (7) | C17—C18—H18 | 120.4 |
O1W—Zn1—N1i | 89.08 (7) | C18—C17—H17 | 119.3 |
O2W—Zn1—N1i | 91.03 (7) | H1W1—O1W—H1W2 | 111.3 (16) |
O2Wi—Zn1—N1i | 88.97 (7) | H2W1—O2W—H2W2 | 109.4 (15) |
O3W—Zn2—N2ii | 90.32 (7) | H3W1—O3W—H3W2 | 109.8 (15) |
O3Wii—Zn2—N2ii | 89.68 (7) | H4W1—O4W—H4W2 | 109.8 (15) |
O3W—Zn2—O4Wii | 89.38 (7) | H5W1—O5W—H5W2 | 109.5 (16) |
O3Wii—Zn2—O4Wii | 90.62 (7) | H12A—C12—H12B | 108.1 |
| | | |
Zn1—N1—C1—C2 | 173.0 (2) | C1—C2—C3—C4 | 0.8 (4) |
Zn1—N1—C5—C4 | −173.5 (2) | C2—C3—C4—C5 | −1.3 (4) |
Zn2—N2—C6—C7 | −176.0 (2) | C3iii—C3—C4—C5 | 177.8 (3) |
Zn2—N2—C10—C9 | 175.4 (2) | C3—C4—C5—N1 | 0.3 (5) |
N1—C1—C2—C3 | 0.8 (4) | C5—N1—C1—C2 | −1.7 (4) |
N2—C6—C7—C8 | 0.5 (5) | C6—N2—C10—C9 | −1.1 (4) |
O1—C11—C12—O3 | 169.7 (2) | C6—C7—C8—C8iv | 179.4 (3) |
O2—C11—C12—O3 | −11.3 (3) | C6—C7—C8—C9 | −0.9 (4) |
O3—C13—C14—C15 | 178.6 (2) | C7—C8—C9—C10 | 0.3 (4) |
O3—C13—C18—C17 | −179.4 (3) | C8iv—C8—C9—C10 | 180.0 (3) |
O1Wi—Zn1—N1—C1 | 129.8 (2) | C8—C9—C10—N2 | 0.7 (4) |
O1W—Zn1—N1—C1 | −50.2 (2) | C10—N2—C6—C7 | 0.5 (4) |
O1Wi—Zn1—N1—C5 | −55.8 (2) | C12—O3—C13—C14 | 173.7 (2) |
O1W—Zn1—N1—C5 | 124.2 (2) | C12—O3—C13—C18 | −5.2 (4) |
O2W—Zn1—N1—C1 | −140.4 (2) | C13—O3—C12—C11 | −174.0 (2) |
O2Wi—Zn1—N1—C1 | 39.6 (2) | C13—C14—C15—C16 | 0.6 (4) |
O2W—Zn1—N1—C5 | 34.0 (2) | C13—C14—C15—C19 | 179.7 (2) |
O2Wi—Zn1—N1—C5 | −146.0 (2) | C14—C13—C18—C17 | 1.8 (4) |
O3W—Zn2—N2—C6 | −133.9 (2) | C14—C15—C16—C17 | 2.1 (4) |
O3Wii—Zn2—N2—C6 | 46.1 (2) | C14—C15—C19—O4 | 150.2 (2) |
O3W—Zn2—N2—C10 | 49.7 (2) | C14—C15—C19—O5 | −27.5 (3) |
O3Wii—Zn2—N2—C10 | −130.3 (2) | C15—C16—C17—C18 | −2.8 (4) |
O4Wii—Zn2—N2—C6 | −44.5 (2) | C16—C17—C18—C13 | 0.9 (4) |
O4W—Zn2—N2—C6 | 135.5 (2) | C16—C15—C19—O4 | −30.7 (4) |
O4Wii—Zn2—N2—C10 | 139.1 (2) | C16—C15—C19—O5 | 151.6 (3) |
O4W—Zn2—N2—C10 | −40.9 (2) | C18—C13—C14—C15 | −2.5 (4) |
C1—N1—C5—C4 | 1.2 (4) | C19—C15—C16—C17 | −177.1 (3) |
C1—C2—C3—C3iii | −178.3 (3) | | |
Symmetry codes: (i) −x, −y+1, −z; (ii) −x+1, −y, −z; (iii) −x, −y+1, −z+1; (iv) −x+1, −y, −z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1W1···O4 | 0.84 (3) | 1.88 (3) | 2.696 (2) | 164 (3) |
O1W—H1W2···O5W | 0.84 (3) | 1.96 (3) | 2.797 (3) | 175 (3) |
O2W—H2W1···O1v | 0.85 (3) | 1.87 (3) | 2.719 (2) | 172 (2) |
O2W—H2W2···O2vi | 0.84 (2) | 2.03 (3) | 2.832 (3) | 157 (3) |
O3W—H3W1···O2vi | 0.85 (2) | 1.91 (3) | 2.746 (2) | 170 (3) |
O3W—H3W2···O5vii | 0.85 (2) | 1.83 (3) | 2.664 (3) | 165 (3) |
O4W—H4W1···O4vii | 0.85 (3) | 1.94 (3) | 2.781 (3) | 174 (3) |
O4W—H4W2···O1iv | 0.84 (3) | 1.91 (3) | 2.746 (3) | 171 (2) |
O5W—H5W1···O2vi | 0.85 (3) | 2.31 (3) | 2.949 (3) | 133 (3) |
O5W—H5W2···O5vii | 0.85 (3) | 1.94 (3) | 2.766 (3) | 164 (4) |
Symmetry codes: (iv) −x+1, −y, −z+1; (v) −x+1, −y+1, −z+1; (vi) x, y, z−1; (vii) −x, −y, −z. |
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