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metal-organic compounds
In the title coordination polymer, [Zn(C9H6O5)(C10H8N2)(H2O)]n, the ZnII ion displays a distorted octahedral coordination configuration, defined by two N atoms from the 2,2′-bipyridine ligand, three carboxylate O atoms from two 4-carboxylatophenoxyacetate dianions and one water molecule. Adjacent ZnII atoms are linked by carboxylate groups into zigzag chains with a ZnZn separation of 9.710 (3) Å across the chains. Intermolecular hydrogen bonds serve to assemble the chains into a double-chain structure.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804029654/ob6435sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804029654/ob6435Isup2.hkl |
CCDC reference: 258700
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.005 Å
- R factor = 0.044
- wR factor = 0.098
- Data-to-parameter ratio = 15.7
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for O1 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for O2 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
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
Computing details top
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.
Crystal data top
[Zn(C9H6O5)(C10H8N2)(H2O)] | F(000) = 1776 |
Mr = 433.73 | Dx = 1.622 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 14284 reflections |
a = 14.234 (3) Å | θ = 3.3–27.4° |
b = 13.210 (3) Å | µ = 1.42 mm−1 |
c = 19.522 (4) Å | T = 293 K |
β = 104.56 (3)° | Prism, colorless |
V = 3552.9 (14) Å3 | 0.34 × 0.25 × 0.17 mm |
Z = 8 |
Data collection top
Rigaku R-AXIS RAPID diffractometer | 4067 independent reflections |
Radiation source: fine-focus sealed tube | 2998 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.053 |
Detector resolution: 10 pixels mm-1 | θmax = 27.5°, θmin = 3.1° |
ω scans | h = −18→17 |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | k = −16→17 |
Tmin = 0.643, Tmax = 0.794 | l = −25→25 |
16561 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)] = 0.044 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.099 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0464P)2 + 3.0155P] where P = (Fo2 + 2Fc2)/3 |
4067 reflections | (Δ/σ)max = 0.001 |
259 parameters | Δρmax = 0.44 e Å−3 |
3 restraints | Δρmin = −0.30 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Zn1 | 0.75882 (2) | 0.29640 (2) | 0.623469 (16) | 0.03538 (11) | |
N1 | 0.82413 (16) | 0.17169 (19) | 0.69331 (13) | 0.0399 (6) | |
N2 | 0.83963 (15) | 0.37005 (18) | 0.71436 (12) | 0.0355 (5) | |
O1 | 0.63640 (15) | 0.1974 (2) | 0.57170 (12) | 0.0587 (6) | |
O2 | 0.62354 (16) | 0.29325 (18) | 0.66055 (15) | 0.0623 (6) | |
O3 | 0.19044 (13) | 0.13819 (16) | 0.57095 (12) | 0.0479 (5) | |
O4 | 0.21962 (15) | −0.06730 (16) | 0.57184 (11) | 0.0493 (5) | |
O5 | 0.10898 (17) | −0.08538 (19) | 0.46862 (12) | 0.0603 (6) | |
O1W | 0.85504 (15) | 0.26916 (18) | 0.56442 (10) | 0.0444 (5) | |
C1 | 0.8155 (2) | 0.0728 (2) | 0.6790 (2) | 0.0517 (8) | |
C2 | 0.8563 (3) | −0.0004 (3) | 0.7278 (2) | 0.0629 (10) | |
C3 | 0.9086 (3) | 0.0292 (3) | 0.7939 (2) | 0.0638 (10) | |
C4 | 0.9190 (2) | 0.1304 (3) | 0.80874 (18) | 0.0525 (8) | |
C5 | 0.87604 (18) | 0.2007 (2) | 0.75806 (15) | 0.0385 (6) | |
C6 | 0.88325 (18) | 0.3112 (2) | 0.76952 (14) | 0.0383 (6) | |
C7 | 0.9330 (3) | 0.3554 (3) | 0.83300 (17) | 0.0623 (10) | |
C8 | 0.9387 (3) | 0.4585 (3) | 0.8388 (2) | 0.0705 (11) | |
C9 | 0.8958 (2) | 0.5179 (3) | 0.78207 (19) | 0.0587 (9) | |
C10 | 0.8457 (2) | 0.4709 (2) | 0.72087 (16) | 0.0457 (7) | |
C11 | 0.5865 (2) | 0.2350 (3) | 0.61021 (18) | 0.0484 (8) | |
C12 | 0.48087 (19) | 0.2081 (2) | 0.59667 (15) | 0.0393 (6) | |
C13 | 0.4336 (2) | 0.1515 (2) | 0.53859 (15) | 0.0430 (7) | |
C14 | 0.3364 (2) | 0.1263 (2) | 0.52748 (15) | 0.0430 (7) | |
C15 | 0.28554 (19) | 0.1585 (2) | 0.57517 (16) | 0.0385 (6) | |
C16 | 0.3322 (2) | 0.2161 (2) | 0.63359 (17) | 0.0459 (7) | |
C17 | 0.4287 (2) | 0.2403 (2) | 0.64336 (17) | 0.0443 (7) | |
C18 | 0.1366 (2) | 0.0778 (2) | 0.51403 (18) | 0.0475 (8) | |
C19 | 0.15797 (19) | −0.0346 (2) | 0.51880 (15) | 0.0387 (6) | |
H1W1 | 0.850 (3) | 0.3081 (18) | 0.5296 (12) | 0.067* | |
H1W2 | 0.864 (3) | 0.2086 (10) | 0.5533 (17) | 0.067* | |
H1 | 0.7805 | 0.0525 | 0.6343 | 0.062* | |
H2 | 0.8485 | −0.0687 | 0.7162 | 0.076* | |
H3 | 0.9363 | −0.0187 | 0.8280 | 0.077* | |
H4 | 0.9551 | 0.1519 | 0.8529 | 0.063* | |
H7 | 0.9622 | 0.3149 | 0.8714 | 0.075* | |
H8 | 0.9718 | 0.4883 | 0.8811 | 0.085* | |
H9 | 0.9003 | 0.5881 | 0.7848 | 0.070* | |
H10 | 0.8148 | 0.5107 | 0.6825 | 0.055* | |
H13 | 0.4677 | 0.1300 | 0.5064 | 0.052* | |
H14 | 0.3057 | 0.0880 | 0.4883 | 0.052* | |
H16 | 0.2983 | 0.2380 | 0.6658 | 0.055* | |
H17 | 0.4593 | 0.2793 | 0.6822 | 0.053* | |
H18A | 0.1488 | 0.1030 | 0.4704 | 0.057* | |
H18B | 0.0681 | 0.0872 | 0.5108 | 0.057* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Zn1 | 0.03550 (17) | 0.03501 (19) | 0.03259 (17) | −0.00453 (13) | 0.00290 (11) | −0.00163 (15) |
N1 | 0.0399 (12) | 0.0369 (14) | 0.0446 (14) | 0.0007 (10) | 0.0138 (10) | −0.0001 (11) |
N2 | 0.0346 (11) | 0.0372 (13) | 0.0335 (12) | −0.0019 (9) | 0.0063 (9) | −0.0029 (10) |
O1 | 0.0404 (11) | 0.0874 (19) | 0.0493 (13) | 0.0006 (11) | 0.0129 (10) | 0.0203 (13) |
O2 | 0.0438 (12) | 0.0465 (14) | 0.0893 (18) | −0.0081 (10) | 0.0035 (12) | −0.0044 (13) |
O3 | 0.0354 (10) | 0.0425 (13) | 0.0678 (14) | −0.0056 (8) | 0.0166 (9) | −0.0021 (10) |
O4 | 0.0518 (12) | 0.0392 (12) | 0.0495 (13) | −0.0032 (9) | −0.0011 (10) | 0.0108 (10) |
O5 | 0.0632 (14) | 0.0570 (15) | 0.0509 (14) | 0.0072 (11) | −0.0036 (11) | −0.0116 (11) |
O1W | 0.0464 (11) | 0.0506 (14) | 0.0357 (11) | −0.0040 (10) | 0.0092 (9) | −0.0046 (9) |
C1 | 0.0574 (19) | 0.0398 (19) | 0.062 (2) | −0.0016 (14) | 0.0231 (16) | −0.0035 (15) |
C2 | 0.066 (2) | 0.038 (2) | 0.096 (3) | 0.0077 (16) | 0.043 (2) | 0.0112 (19) |
C3 | 0.065 (2) | 0.061 (3) | 0.072 (3) | 0.0217 (18) | 0.0296 (19) | 0.029 (2) |
C4 | 0.0493 (17) | 0.068 (3) | 0.0430 (17) | 0.0132 (16) | 0.0160 (13) | 0.0158 (16) |
C5 | 0.0324 (13) | 0.0478 (17) | 0.0373 (14) | 0.0063 (12) | 0.0122 (11) | 0.0033 (14) |
C6 | 0.0302 (13) | 0.0519 (19) | 0.0329 (14) | 0.0043 (12) | 0.0082 (10) | −0.0020 (13) |
C7 | 0.063 (2) | 0.076 (3) | 0.0379 (18) | 0.0066 (18) | −0.0052 (15) | −0.0077 (17) |
C8 | 0.077 (2) | 0.073 (3) | 0.050 (2) | −0.007 (2) | −0.0067 (18) | −0.025 (2) |
C9 | 0.064 (2) | 0.054 (2) | 0.056 (2) | −0.0124 (17) | 0.0117 (16) | −0.0194 (17) |
C10 | 0.0510 (17) | 0.0407 (18) | 0.0445 (17) | −0.0052 (13) | 0.0101 (13) | −0.0048 (14) |
C11 | 0.0386 (16) | 0.0476 (19) | 0.058 (2) | 0.0020 (13) | 0.0101 (14) | 0.0248 (16) |
C12 | 0.0373 (14) | 0.0332 (15) | 0.0454 (16) | −0.0009 (11) | 0.0064 (11) | 0.0113 (13) |
C13 | 0.0408 (15) | 0.0505 (19) | 0.0400 (16) | 0.0015 (13) | 0.0146 (12) | 0.0097 (14) |
C14 | 0.0431 (15) | 0.0464 (19) | 0.0383 (15) | −0.0046 (13) | 0.0078 (12) | 0.0008 (13) |
C15 | 0.0353 (14) | 0.0318 (15) | 0.0478 (17) | −0.0009 (11) | 0.0095 (12) | 0.0074 (13) |
C16 | 0.0466 (16) | 0.0395 (18) | 0.0546 (18) | −0.0013 (13) | 0.0184 (14) | −0.0042 (14) |
C17 | 0.0414 (16) | 0.0378 (17) | 0.0508 (18) | −0.0045 (12) | 0.0062 (13) | −0.0033 (14) |
C18 | 0.0333 (15) | 0.0435 (18) | 0.060 (2) | 0.0003 (12) | 0.0013 (13) | 0.0076 (15) |
C19 | 0.0324 (13) | 0.0443 (17) | 0.0403 (15) | −0.0006 (11) | 0.0108 (12) | 0.0060 (13) |
Geometric parameters (Å, º) top
Zn1—N1 | 2.191 (2) | C4—C5 | 1.383 (4) |
Zn1—N2 | 2.096 (2) | C4—H4 | 0.9300 |
Zn1—O1 | 2.210 (2) | C5—C6 | 1.476 (4) |
Zn1—O2 | 2.221 (3) | C6—C7 | 1.391 (4) |
Zn1—O4i | 2.070 (2) | C7—C8 | 1.368 (5) |
Zn1—O1W | 2.032 (2) | C7—H7 | 0.9300 |
O1—C11 | 1.258 (4) | C8—C9 | 1.369 (5) |
O2—C11 | 1.255 (4) | C8—H8 | 0.9300 |
O4—C19 | 1.254 (3) | C9—C10 | 1.376 (4) |
O5—C19 | 1.246 (4) | C9—H9 | 0.9300 |
Zn1—C11 | 2.534 (3) | C10—H10 | 0.9300 |
N1—C1 | 1.335 (4) | C11—C12 | 1.503 (4) |
N1—C5 | 1.350 (4) | C12—C13 | 1.383 (4) |
N2—C6 | 1.346 (3) | C12—C17 | 1.380 (4) |
N2—C10 | 1.339 (4) | C13—C14 | 1.386 (4) |
O3—C15 | 1.362 (3) | C13—H13 | 0.9300 |
O3—C18 | 1.425 (4) | C14—C15 | 1.383 (4) |
O4—Zn1ii | 2.070 (2) | C14—H14 | 0.9300 |
O1W—H1W1 | 0.84 (3) | C15—C16 | 1.393 (4) |
O1W—H1W2 | 0.85 (3) | C16—C17 | 1.376 (4) |
C1—C2 | 1.379 (5) | C16—H16 | 0.9300 |
C1—H1 | 0.9300 | C17—H17 | 0.9300 |
C2—C3 | 1.375 (5) | C18—C19 | 1.514 (4) |
C2—H2 | 0.9300 | C18—H18A | 0.9700 |
C3—C4 | 1.368 (5) | C18—H18B | 0.9700 |
C3—H3 | 0.9300 | ||
N1—Zn1—O1 | 90.13 (9) | C3—C2—C1 | 118.9 (3) |
N1—Zn1—O2 | 92.87 (9) | C3—C2—H2 | 120.5 |
N2—Zn1—N1 | 76.43 (9) | C3—C4—C5 | 120.0 (3) |
N2—Zn1—O1 | 149.76 (9) | C3—C4—H4 | 120.0 |
N2—Zn1—O2 | 93.96 (9) | C4—C3—C2 | 118.7 (3) |
O1—Zn1—O2 | 59.30 (9) | C4—C3—H3 | 120.6 |
O4i—Zn1—N1 | 167.74 (9) | C4—C5—C6 | 123.7 (3) |
O4i—Zn1—N2 | 91.83 (9) | C5—N1—Zn1 | 114.6 (2) |
O4i—Zn1—O1 | 101.94 (9) | C5—C4—H4 | 120.0 |
O4i—Zn1—O2 | 91.45 (9) | C6—N2—Zn1 | 116.99 (19) |
O1W—Zn1—N1 | 88.78 (9) | C6—C7—H7 | 120.1 |
O1W—Zn1—N2 | 104.94 (9) | C7—C6—C5 | 123.4 (3) |
O1W—Zn1—O1 | 101.67 (9) | C7—C8—C9 | 119.9 (3) |
O1W—Zn1—O2 | 160.87 (9) | C7—C8—H8 | 120.0 |
O1W—Zn1—O4i | 90.88 (9) | C8—C7—C6 | 119.8 (3) |
Zn1—O1W—H1W1 | 115 (2) | C8—C7—H7 | 120.1 |
Zn1—O1W—H1W2 | 119 (2) | C8—C9—C10 | 118.2 (4) |
N1—Zn1—C11 | 94.09 (9) | C8—C9—H9 | 120.9 |
N1—C1—C2 | 122.8 (3) | C9—C8—H8 | 120.0 |
N1—C1—H1 | 118.6 | C9—C10—H10 | 118.7 |
N1—C5—C4 | 121.2 (3) | C10—N2—C6 | 119.5 (3) |
N1—C5—C6 | 115.1 (2) | C10—N2—Zn1 | 123.4 (2) |
N2—Zn1—C11 | 123.12 (11) | C10—C9—H9 | 120.9 |
N2—C6—C5 | 116.7 (2) | C11—O1—Zn1 | 89.5 (2) |
N2—C6—C7 | 120.0 (3) | C11—O2—Zn1 | 89.1 (2) |
N2—C10—C9 | 122.6 (3) | C12—C11—Zn1 | 173.7 (2) |
N2—C10—H10 | 118.7 | C12—C13—C14 | 121.2 (3) |
O1—Zn1—C11 | 29.78 (10) | C12—C13—H13 | 119.4 |
O1—C11—Zn1 | 60.71 (16) | C12—C17—H17 | 119.3 |
O1—C11—C12 | 119.4 (3) | C13—C12—C11 | 122.1 (3) |
O2—Zn1—C11 | 29.69 (10) | C13—C14—H14 | 120.3 |
O2—C11—Zn1 | 61.24 (17) | C14—C13—H13 | 119.4 |
O2—C11—C12 | 119.2 (3) | C14—C15—C16 | 119.8 (3) |
O2—C11—O1 | 121.4 (3) | C15—O3—C18 | 119.3 (2) |
O3—C15—C14 | 125.4 (3) | C15—C14—C13 | 119.5 (3) |
O3—C15—C16 | 114.8 (3) | C15—C14—H14 | 120.3 |
O3—C18—C19 | 116.2 (2) | C15—C16—H16 | 120.2 |
O3—C18—H18A | 108.2 | C16—C17—C12 | 121.4 (3) |
O3—C18—H18B | 108.2 | C16—C17—H17 | 119.3 |
O4i—Zn1—C11 | 95.34 (9) | C17—C12—C11 | 119.5 (3) |
O4—C19—C18 | 118.5 (3) | C17—C12—C13 | 118.5 (3) |
O5—C19—O4 | 127.0 (3) | C17—C16—C15 | 119.7 (3) |
O5—C19—C18 | 114.5 (3) | C17—C16—H16 | 120.2 |
O1W—Zn1—C11 | 131.19 (11) | C19—O4—Zn1ii | 138.5 (2) |
C1—N1—Zn1 | 127.1 (2) | C19—C18—H18A | 108.2 |
C1—N1—C5 | 118.3 (3) | C19—C18—H18B | 108.2 |
C1—C2—H2 | 120.5 | H1W1—O1W—H1W2 | 111.0 (17) |
C2—C1—H1 | 118.6 | H18A—C18—H18B | 107.4 |
C2—C3—H3 | 120.6 | ||
Zn1—N1—C1—C2 | −177.1 (2) | O4i—Zn1—N1—C5 | 20.8 (5) |
Zn1—N1—C5—C4 | 177.9 (2) | O4i—Zn1—N2—C6 | 179.03 (19) |
Zn1—N1—C5—C6 | −2.5 (3) | O4i—Zn1—N2—C10 | 2.3 (2) |
Zn1—N2—C6—C5 | 4.8 (3) | O4i—Zn1—O1—C11 | −79.76 (18) |
Zn1—N2—C6—C7 | −176.0 (2) | O4i—Zn1—O2—C11 | 98.26 (19) |
Zn1—N2—C10—C9 | 177.2 (2) | O4i—Zn1—C11—O1 | 104.77 (18) |
Zn1—O1—C11—O2 | −8.5 (3) | O4i—Zn1—C11—O2 | −83.53 (19) |
Zn1—O1—C11—C12 | 172.7 (2) | O1W—Zn1—N1—C1 | −72.5 (3) |
Zn1—O2—C11—O1 | 8.5 (3) | O1W—Zn1—N1—C5 | 109.40 (19) |
Zn1—O2—C11—C12 | −172.8 (2) | O1W—Zn1—N2—C6 | −89.57 (19) |
Zn1ii—O4—C19—O5 | −17.1 (5) | O1W—Zn1—N2—C10 | 93.7 (2) |
Zn1ii—O4—C19—C18 | 161.1 (2) | O1W—Zn1—O1—C11 | −173.18 (17) |
N1—Zn1—N2—C6 | −4.56 (18) | O1W—Zn1—O2—C11 | 1.4 (4) |
N1—Zn1—N2—C10 | 178.7 (2) | O1W—Zn1—C11—O1 | 8.9 (2) |
N1—Zn1—O1—C11 | 98.03 (18) | O1W—Zn1—C11—O2 | −179.41 (17) |
N1—Zn1—O2—C11 | −93.22 (19) | C1—N1—C5—C4 | −0.3 (4) |
N1—Zn1—C11—O1 | −83.08 (18) | C1—N1—C5—C6 | 179.3 (2) |
N1—Zn1—C11—O2 | 88.63 (19) | C1—C2—C3—C4 | −0.6 (5) |
N1—C1—C2—C3 | −0.4 (5) | C2—C3—C4—C5 | 1.1 (5) |
N1—C5—C6—N2 | −1.4 (3) | C3—C4—C5—N1 | −0.6 (4) |
N1—C5—C6—C7 | 179.4 (3) | C3—C4—C5—C6 | 179.8 (3) |
N2—Zn1—N1—C1 | −178.2 (3) | C4—C5—C6—N2 | 178.2 (3) |
N2—Zn1—N1—C5 | 3.72 (18) | C4—C5—C6—C7 | −1.0 (4) |
N2—Zn1—O1—C11 | 35.6 (3) | C5—N1—C1—C2 | 0.9 (4) |
N2—Zn1—O2—C11 | −169.81 (19) | C5—C6—C7—C8 | 178.1 (3) |
N2—Zn1—C11—O1 | −159.54 (16) | C6—N2—C10—C9 | 0.5 (4) |
N2—Zn1—C11—O2 | 12.2 (2) | C6—C7—C8—C9 | −0.1 (6) |
N2—C6—C7—C8 | −1.1 (5) | C7—C8—C9—C10 | 1.5 (6) |
O1—Zn1—N1—C1 | 29.1 (3) | C8—C9—C10—N2 | −1.7 (5) |
O1—Zn1—N1—C5 | −148.93 (19) | C10—N2—C6—C5 | −178.3 (2) |
O1—Zn1—N2—C6 | 61.3 (3) | C10—N2—C6—C7 | 0.9 (4) |
O1—Zn1—N2—C10 | −115.5 (3) | C11—Zn1—N1—C1 | 58.7 (3) |
O1—Zn1—O2—C11 | −4.78 (17) | C11—Zn1—N1—C5 | −119.4 (2) |
O1—Zn1—C11—O2 | 171.7 (3) | C11—Zn1—N2—C6 | 81.4 (2) |
O1—C11—C12—C17 | 173.1 (3) | C11—Zn1—N2—C10 | −95.3 (2) |
O1—C11—C12—C13 | −6.9 (4) | C11—C12—C13—C14 | 179.1 (3) |
O2—Zn1—N1—C1 | 88.4 (3) | C11—C12—C17—C16 | −179.0 (3) |
O2—Zn1—N1—C5 | −89.67 (19) | C12—C13—C14—C15 | 0.3 (5) |
O2—Zn1—N2—C6 | 87.45 (19) | C13—C12—C17—C16 | 1.0 (5) |
O2—Zn1—N2—C10 | −89.3 (2) | C13—C14—C15—O3 | −179.3 (3) |
O2—Zn1—O1—C11 | 4.77 (17) | C13—C14—C15—C16 | 0.2 (4) |
O2—Zn1—C11—O1 | −171.7 (3) | C14—C15—C16—C17 | 0.0 (5) |
O2—C11—C12—C13 | 174.3 (3) | C15—O3—C18—C19 | 74.7 (3) |
O2—C11—C12—C17 | −5.7 (4) | C15—C16—C17—C12 | −0.6 (5) |
O3—C15—C16—C17 | 179.5 (3) | C17—C12—C13—C14 | −0.8 (4) |
O3—C18—C19—O4 | 0.8 (4) | C18—O3—C15—C14 | 0.9 (4) |
O3—C18—C19—O5 | 179.3 (3) | C18—O3—C15—C16 | −178.5 (3) |
O4i—Zn1—N1—C1 | −161.1 (4) |
Symmetry codes: (i) x+1/2, y+1/2, z; (ii) x−1/2, y−1/2, z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1W1···O1iii | 0.84 (3) | 2.04 (2) | 2.726 (3) | 139 (3) |
O1W—H1W2···O5iv | 0.85 (3) | 1.75 (3) | 2.596 (3) | 176 (4) |
Symmetry codes: (iii) −x+3/2, −y+1/2, −z+1; (iv) −x+1, −y, −z+1. |
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