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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 Zn...Zn separation of 9.710 (3) Å across the chains. Intermolecular hydrogen bonds serve to assemble the chains into a double-chain structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804029654/ob6435sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804029654/ob6435Isup2.hkl
Contains datablock I

CCDC reference: 258700

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](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.

catena-Poly[[aqua(2,2'-bipyridine-κ2N,N')zinc(II)]-µ-4- carboxylatophenoxyacetato-κ3O,O':O''] top
Crystal data top
[Zn(C9H6O5)(C10H8N2)(H2O)]F(000) = 1776
Mr = 433.73Dx = 1.622 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 14284 reflections
a = 14.234 (3) Åθ = 3.3–27.4°
b = 13.210 (3) ŵ = 1.42 mm1
c = 19.522 (4) ÅT = 293 K
β = 104.56 (3)°Prism, colorless
V = 3552.9 (14) Å30.34 × 0.25 × 0.17 mm
Z = 8
Data collection top
Rigaku R-AXIS RAPID
diffractometer
4067 independent reflections
Radiation source: fine-focus sealed tube2998 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.053
Detector resolution: 10 pixels mm-1θmax = 27.5°, θmin = 3.1°
ω scansh = 1817
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1617
Tmin = 0.643, Tmax = 0.794l = 2525
16561 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.044Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.099H 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 parametersΔρmax = 0.44 e Å3
3 restraintsΔρmin = 0.30 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Zn10.75882 (2)0.29640 (2)0.623469 (16)0.03538 (11)
N10.82413 (16)0.17169 (19)0.69331 (13)0.0399 (6)
N20.83963 (15)0.37005 (18)0.71436 (12)0.0355 (5)
O10.63640 (15)0.1974 (2)0.57170 (12)0.0587 (6)
O20.62354 (16)0.29325 (18)0.66055 (15)0.0623 (6)
O30.19044 (13)0.13819 (16)0.57095 (12)0.0479 (5)
O40.21962 (15)0.06730 (16)0.57184 (11)0.0493 (5)
O50.10898 (17)0.08538 (19)0.46862 (12)0.0603 (6)
O1W0.85504 (15)0.26916 (18)0.56442 (10)0.0444 (5)
C10.8155 (2)0.0728 (2)0.6790 (2)0.0517 (8)
C20.8563 (3)0.0004 (3)0.7278 (2)0.0629 (10)
C30.9086 (3)0.0292 (3)0.7939 (2)0.0638 (10)
C40.9190 (2)0.1304 (3)0.80874 (18)0.0525 (8)
C50.87604 (18)0.2007 (2)0.75806 (15)0.0385 (6)
C60.88325 (18)0.3112 (2)0.76952 (14)0.0383 (6)
C70.9330 (3)0.3554 (3)0.83300 (17)0.0623 (10)
C80.9387 (3)0.4585 (3)0.8388 (2)0.0705 (11)
C90.8958 (2)0.5179 (3)0.78207 (19)0.0587 (9)
C100.8457 (2)0.4709 (2)0.72087 (16)0.0457 (7)
C110.5865 (2)0.2350 (3)0.61021 (18)0.0484 (8)
C120.48087 (19)0.2081 (2)0.59667 (15)0.0393 (6)
C130.4336 (2)0.1515 (2)0.53859 (15)0.0430 (7)
C140.3364 (2)0.1263 (2)0.52748 (15)0.0430 (7)
C150.28554 (19)0.1585 (2)0.57517 (16)0.0385 (6)
C160.3322 (2)0.2161 (2)0.63359 (17)0.0459 (7)
C170.4287 (2)0.2403 (2)0.64336 (17)0.0443 (7)
C180.1366 (2)0.0778 (2)0.51403 (18)0.0475 (8)
C190.15797 (19)0.0346 (2)0.51880 (15)0.0387 (6)
H1W10.850 (3)0.3081 (18)0.5296 (12)0.067*
H1W20.864 (3)0.2086 (10)0.5533 (17)0.067*
H10.78050.05250.63430.062*
H20.84850.06870.71620.076*
H30.93630.01870.82800.077*
H40.95510.15190.85290.063*
H70.96220.31490.87140.075*
H80.97180.48830.88110.085*
H90.90030.58810.78480.070*
H100.81480.51070.68250.055*
H130.46770.13000.50640.052*
H140.30570.08800.48830.052*
H160.29830.23800.66580.055*
H170.45930.27930.68220.053*
H18A0.14880.10300.47040.057*
H18B0.06810.08720.51080.057*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.03550 (17)0.03501 (19)0.03259 (17)0.00453 (13)0.00290 (11)0.00163 (15)
N10.0399 (12)0.0369 (14)0.0446 (14)0.0007 (10)0.0138 (10)0.0001 (11)
N20.0346 (11)0.0372 (13)0.0335 (12)0.0019 (9)0.0063 (9)0.0029 (10)
O10.0404 (11)0.0874 (19)0.0493 (13)0.0006 (11)0.0129 (10)0.0203 (13)
O20.0438 (12)0.0465 (14)0.0893 (18)0.0081 (10)0.0035 (12)0.0044 (13)
O30.0354 (10)0.0425 (13)0.0678 (14)0.0056 (8)0.0166 (9)0.0021 (10)
O40.0518 (12)0.0392 (12)0.0495 (13)0.0032 (9)0.0011 (10)0.0108 (10)
O50.0632 (14)0.0570 (15)0.0509 (14)0.0072 (11)0.0036 (11)0.0116 (11)
O1W0.0464 (11)0.0506 (14)0.0357 (11)0.0040 (10)0.0092 (9)0.0046 (9)
C10.0574 (19)0.0398 (19)0.062 (2)0.0016 (14)0.0231 (16)0.0035 (15)
C20.066 (2)0.038 (2)0.096 (3)0.0077 (16)0.043 (2)0.0112 (19)
C30.065 (2)0.061 (3)0.072 (3)0.0217 (18)0.0296 (19)0.029 (2)
C40.0493 (17)0.068 (3)0.0430 (17)0.0132 (16)0.0160 (13)0.0158 (16)
C50.0324 (13)0.0478 (17)0.0373 (14)0.0063 (12)0.0122 (11)0.0033 (14)
C60.0302 (13)0.0519 (19)0.0329 (14)0.0043 (12)0.0082 (10)0.0020 (13)
C70.063 (2)0.076 (3)0.0379 (18)0.0066 (18)0.0052 (15)0.0077 (17)
C80.077 (2)0.073 (3)0.050 (2)0.007 (2)0.0067 (18)0.025 (2)
C90.064 (2)0.054 (2)0.056 (2)0.0124 (17)0.0117 (16)0.0194 (17)
C100.0510 (17)0.0407 (18)0.0445 (17)0.0052 (13)0.0101 (13)0.0048 (14)
C110.0386 (16)0.0476 (19)0.058 (2)0.0020 (13)0.0101 (14)0.0248 (16)
C120.0373 (14)0.0332 (15)0.0454 (16)0.0009 (11)0.0064 (11)0.0113 (13)
C130.0408 (15)0.0505 (19)0.0400 (16)0.0015 (13)0.0146 (12)0.0097 (14)
C140.0431 (15)0.0464 (19)0.0383 (15)0.0046 (13)0.0078 (12)0.0008 (13)
C150.0353 (14)0.0318 (15)0.0478 (17)0.0009 (11)0.0095 (12)0.0074 (13)
C160.0466 (16)0.0395 (18)0.0546 (18)0.0013 (13)0.0184 (14)0.0042 (14)
C170.0414 (16)0.0378 (17)0.0508 (18)0.0045 (12)0.0062 (13)0.0033 (14)
C180.0333 (15)0.0435 (18)0.060 (2)0.0003 (12)0.0013 (13)0.0076 (15)
C190.0324 (13)0.0443 (17)0.0403 (15)0.0006 (11)0.0108 (12)0.0060 (13)
Geometric parameters (Å, º) top
Zn1—N12.191 (2)C4—C51.383 (4)
Zn1—N22.096 (2)C4—H40.9300
Zn1—O12.210 (2)C5—C61.476 (4)
Zn1—O22.221 (3)C6—C71.391 (4)
Zn1—O4i2.070 (2)C7—C81.368 (5)
Zn1—O1W2.032 (2)C7—H70.9300
O1—C111.258 (4)C8—C91.369 (5)
O2—C111.255 (4)C8—H80.9300
O4—C191.254 (3)C9—C101.376 (4)
O5—C191.246 (4)C9—H90.9300
Zn1—C112.534 (3)C10—H100.9300
N1—C11.335 (4)C11—C121.503 (4)
N1—C51.350 (4)C12—C131.383 (4)
N2—C61.346 (3)C12—C171.380 (4)
N2—C101.339 (4)C13—C141.386 (4)
O3—C151.362 (3)C13—H130.9300
O3—C181.425 (4)C14—C151.383 (4)
O4—Zn1ii2.070 (2)C14—H140.9300
O1W—H1W10.84 (3)C15—C161.393 (4)
O1W—H1W20.85 (3)C16—C171.376 (4)
C1—C21.379 (5)C16—H160.9300
C1—H10.9300C17—H170.9300
C2—C31.375 (5)C18—C191.514 (4)
C2—H20.9300C18—H18A0.9700
C3—C41.368 (5)C18—H18B0.9700
C3—H30.9300
N1—Zn1—O190.13 (9)C3—C2—C1118.9 (3)
N1—Zn1—O292.87 (9)C3—C2—H2120.5
N2—Zn1—N176.43 (9)C3—C4—C5120.0 (3)
N2—Zn1—O1149.76 (9)C3—C4—H4120.0
N2—Zn1—O293.96 (9)C4—C3—C2118.7 (3)
O1—Zn1—O259.30 (9)C4—C3—H3120.6
O4i—Zn1—N1167.74 (9)C4—C5—C6123.7 (3)
O4i—Zn1—N291.83 (9)C5—N1—Zn1114.6 (2)
O4i—Zn1—O1101.94 (9)C5—C4—H4120.0
O4i—Zn1—O291.45 (9)C6—N2—Zn1116.99 (19)
O1W—Zn1—N188.78 (9)C6—C7—H7120.1
O1W—Zn1—N2104.94 (9)C7—C6—C5123.4 (3)
O1W—Zn1—O1101.67 (9)C7—C8—C9119.9 (3)
O1W—Zn1—O2160.87 (9)C7—C8—H8120.0
O1W—Zn1—O4i90.88 (9)C8—C7—C6119.8 (3)
Zn1—O1W—H1W1115 (2)C8—C7—H7120.1
Zn1—O1W—H1W2119 (2)C8—C9—C10118.2 (4)
N1—Zn1—C1194.09 (9)C8—C9—H9120.9
N1—C1—C2122.8 (3)C9—C8—H8120.0
N1—C1—H1118.6C9—C10—H10118.7
N1—C5—C4121.2 (3)C10—N2—C6119.5 (3)
N1—C5—C6115.1 (2)C10—N2—Zn1123.4 (2)
N2—Zn1—C11123.12 (11)C10—C9—H9120.9
N2—C6—C5116.7 (2)C11—O1—Zn189.5 (2)
N2—C6—C7120.0 (3)C11—O2—Zn189.1 (2)
N2—C10—C9122.6 (3)C12—C11—Zn1173.7 (2)
N2—C10—H10118.7C12—C13—C14121.2 (3)
O1—Zn1—C1129.78 (10)C12—C13—H13119.4
O1—C11—Zn160.71 (16)C12—C17—H17119.3
O1—C11—C12119.4 (3)C13—C12—C11122.1 (3)
O2—Zn1—C1129.69 (10)C13—C14—H14120.3
O2—C11—Zn161.24 (17)C14—C13—H13119.4
O2—C11—C12119.2 (3)C14—C15—C16119.8 (3)
O2—C11—O1121.4 (3)C15—O3—C18119.3 (2)
O3—C15—C14125.4 (3)C15—C14—C13119.5 (3)
O3—C15—C16114.8 (3)C15—C14—H14120.3
O3—C18—C19116.2 (2)C15—C16—H16120.2
O3—C18—H18A108.2C16—C17—C12121.4 (3)
O3—C18—H18B108.2C16—C17—H17119.3
O4i—Zn1—C1195.34 (9)C17—C12—C11119.5 (3)
O4—C19—C18118.5 (3)C17—C12—C13118.5 (3)
O5—C19—O4127.0 (3)C17—C16—C15119.7 (3)
O5—C19—C18114.5 (3)C17—C16—H16120.2
O1W—Zn1—C11131.19 (11)C19—O4—Zn1ii138.5 (2)
C1—N1—Zn1127.1 (2)C19—C18—H18A108.2
C1—N1—C5118.3 (3)C19—C18—H18B108.2
C1—C2—H2120.5H1W1—O1W—H1W2111.0 (17)
C2—C1—H1118.6H18A—C18—H18B107.4
C2—C3—H3120.6
Zn1—N1—C1—C2177.1 (2)O4i—Zn1—N1—C520.8 (5)
Zn1—N1—C5—C4177.9 (2)O4i—Zn1—N2—C6179.03 (19)
Zn1—N1—C5—C62.5 (3)O4i—Zn1—N2—C102.3 (2)
Zn1—N2—C6—C54.8 (3)O4i—Zn1—O1—C1179.76 (18)
Zn1—N2—C6—C7176.0 (2)O4i—Zn1—O2—C1198.26 (19)
Zn1—N2—C10—C9177.2 (2)O4i—Zn1—C11—O1104.77 (18)
Zn1—O1—C11—O28.5 (3)O4i—Zn1—C11—O283.53 (19)
Zn1—O1—C11—C12172.7 (2)O1W—Zn1—N1—C172.5 (3)
Zn1—O2—C11—O18.5 (3)O1W—Zn1—N1—C5109.40 (19)
Zn1—O2—C11—C12172.8 (2)O1W—Zn1—N2—C689.57 (19)
Zn1ii—O4—C19—O517.1 (5)O1W—Zn1—N2—C1093.7 (2)
Zn1ii—O4—C19—C18161.1 (2)O1W—Zn1—O1—C11173.18 (17)
N1—Zn1—N2—C64.56 (18)O1W—Zn1—O2—C111.4 (4)
N1—Zn1—N2—C10178.7 (2)O1W—Zn1—C11—O18.9 (2)
N1—Zn1—O1—C1198.03 (18)O1W—Zn1—C11—O2179.41 (17)
N1—Zn1—O2—C1193.22 (19)C1—N1—C5—C40.3 (4)
N1—Zn1—C11—O183.08 (18)C1—N1—C5—C6179.3 (2)
N1—Zn1—C11—O288.63 (19)C1—C2—C3—C40.6 (5)
N1—C1—C2—C30.4 (5)C2—C3—C4—C51.1 (5)
N1—C5—C6—N21.4 (3)C3—C4—C5—N10.6 (4)
N1—C5—C6—C7179.4 (3)C3—C4—C5—C6179.8 (3)
N2—Zn1—N1—C1178.2 (3)C4—C5—C6—N2178.2 (3)
N2—Zn1—N1—C53.72 (18)C4—C5—C6—C71.0 (4)
N2—Zn1—O1—C1135.6 (3)C5—N1—C1—C20.9 (4)
N2—Zn1—O2—C11169.81 (19)C5—C6—C7—C8178.1 (3)
N2—Zn1—C11—O1159.54 (16)C6—N2—C10—C90.5 (4)
N2—Zn1—C11—O212.2 (2)C6—C7—C8—C90.1 (6)
N2—C6—C7—C81.1 (5)C7—C8—C9—C101.5 (6)
O1—Zn1—N1—C129.1 (3)C8—C9—C10—N21.7 (5)
O1—Zn1—N1—C5148.93 (19)C10—N2—C6—C5178.3 (2)
O1—Zn1—N2—C661.3 (3)C10—N2—C6—C70.9 (4)
O1—Zn1—N2—C10115.5 (3)C11—Zn1—N1—C158.7 (3)
O1—Zn1—O2—C114.78 (17)C11—Zn1—N1—C5119.4 (2)
O1—Zn1—C11—O2171.7 (3)C11—Zn1—N2—C681.4 (2)
O1—C11—C12—C17173.1 (3)C11—Zn1—N2—C1095.3 (2)
O1—C11—C12—C136.9 (4)C11—C12—C13—C14179.1 (3)
O2—Zn1—N1—C188.4 (3)C11—C12—C17—C16179.0 (3)
O2—Zn1—N1—C589.67 (19)C12—C13—C14—C150.3 (5)
O2—Zn1—N2—C687.45 (19)C13—C12—C17—C161.0 (5)
O2—Zn1—N2—C1089.3 (2)C13—C14—C15—O3179.3 (3)
O2—Zn1—O1—C114.77 (17)C13—C14—C15—C160.2 (4)
O2—Zn1—C11—O1171.7 (3)C14—C15—C16—C170.0 (5)
O2—C11—C12—C13174.3 (3)C15—O3—C18—C1974.7 (3)
O2—C11—C12—C175.7 (4)C15—C16—C17—C120.6 (5)
O3—C15—C16—C17179.5 (3)C17—C12—C13—C140.8 (4)
O3—C18—C19—O40.8 (4)C18—O3—C15—C140.9 (4)
O3—C18—C19—O5179.3 (3)C18—O3—C15—C16178.5 (3)
O4i—Zn1—N1—C1161.1 (4)
Symmetry codes: (i) x+1/2, y+1/2, z; (ii) x1/2, y1/2, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W1···O1iii0.84 (3)2.04 (2)2.726 (3)139 (3)
O1W—H1W2···O5iv0.85 (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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