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In the title coordination polymer, [Mn(4-CPOA)(2,2′-bipy)(H2O)]n [where 4-CPOA2− is 4-carboxyl­ato­phenoxy­acetate (C9H6O5) and 2,2′-bipy is 2,2′-bi­pyridine (C10H8N2)], each MnII ion displays a distorted octahedral coordination configuration, defined by three carboxyl O atoms from two different 4-CPOA2− groups, two N atoms from the 2,2′-bi­pyridine ligand and one water mol­ecule. Adjacent MnII ions are linked by carboxyl­ate groups into a one-dimensional chain structure with a shortest Mn...Mn distance of 9.771 (3) Å. A two-dimensional supramolecular network is constructed through O—H...O intermolecular hydrogen bonds and π–π stacking interactions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805012584/lh6411sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805012584/lh6411Isup2.hkl
Contains datablock I

CCDC reference: 224464

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.066
  • wR factor = 0.146
  • Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7 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 2 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 0 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 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')manganese(II)]-µ- 4-carboxylatophenoxyacetato-κ3O,O':O''] top
Crystal data top
[Mn(C9H6O5)(C10H8N2)(H2O)]F(000) = 1736
Mr = 423.28Dx = 1.545 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 6068 reflections
a = 14.379 (2) Åθ = 3.0–27.4°
b = 13.234 (2) ŵ = 0.77 mm1
c = 19.705 (3) ÅT = 296 K
β = 104.00 (3)°Prism, yellow
V = 3638.3 (10) Å30.32 × 0.24 × 0.18 mm
Z = 8
Data collection top
Rigaku R-AXIS RAPID
diffractometer
4139 independent reflections
Radiation source: fine-focus sealed tube2578 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.057
Detector resolution: 10 pixels mm-1θmax = 27.4°, θmin = 3.0°
ω scansh = 1818
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1716
Tmin = 0.792, Tmax = 0.874l = 2525
6190 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)] = 0.066Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.146H atoms treated by a mixture of independent and constrained refinement
S = 1.04 w = 1/[σ2(Fo2) + (0.055P)2]
where P = (Fo2 + 2Fc2)/3
4139 reflections(Δ/σ)max = 0.001
259 parametersΔρmax = 0.45 e Å3
2 restraintsΔρmin = 0.33 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Mn10.75561 (5)0.79563 (5)0.62120 (3)0.0465 (2)
N10.8419 (2)0.8701 (3)0.71681 (18)0.0471 (9)
N20.8265 (3)0.6716 (3)0.69679 (19)0.0493 (9)
O10.6192 (2)0.7915 (2)0.66021 (16)0.0588 (8)
O20.6315 (2)0.6948 (2)0.57219 (15)0.0543 (8)
O30.1895 (2)0.6410 (2)0.57211 (17)0.0603 (9)
O40.1079 (3)0.4223 (3)0.46691 (18)0.0758 (11)
O50.2164 (2)0.4350 (2)0.56862 (16)0.0607 (9)
O1W0.8585 (3)0.7647 (3)0.56178 (16)0.0578 (9)
C10.5818 (3)0.7334 (3)0.6107 (2)0.0485 (11)
C20.4786 (3)0.7077 (3)0.5983 (2)0.0444 (10)
C30.4256 (3)0.7396 (3)0.6450 (2)0.0518 (12)
C40.3301 (3)0.7160 (3)0.6352 (2)0.0551 (12)
C50.2847 (3)0.6593 (3)0.5773 (2)0.0473 (11)
C60.3347 (3)0.6283 (4)0.5291 (2)0.0526 (12)
C70.4314 (3)0.6519 (3)0.5407 (2)0.0491 (11)
C80.1368 (3)0.5830 (4)0.5150 (3)0.0591 (13)
C90.1569 (3)0.4688 (4)0.5179 (2)0.0534 (12)
C100.8480 (3)0.9708 (4)0.7231 (2)0.0591 (13)
C110.8960 (4)1.0178 (4)0.7839 (3)0.0707 (15)
C120.9379 (4)0.9576 (5)0.8394 (3)0.0840 (18)
C130.9337 (4)0.8555 (4)0.8336 (3)0.0762 (17)
C140.8846 (3)0.8119 (4)0.7713 (2)0.0504 (12)
C150.8776 (3)0.7006 (4)0.7601 (2)0.0468 (10)
C160.9221 (3)0.6323 (4)0.8107 (3)0.0626 (13)
C170.9124 (4)0.5317 (5)0.7971 (3)0.0744 (17)
C180.8599 (4)0.4996 (4)0.7325 (3)0.0741 (16)
C190.8193 (3)0.5724 (4)0.6841 (3)0.0607 (13)
H1W10.853 (4)0.793 (4)0.5225 (14)0.087*
H1W20.859 (4)0.7007 (10)0.556 (3)0.087*
H30.45560.77780.68370.062*
H40.29620.73790.66710.066*
H60.30400.59210.48960.063*
H70.46540.62960.50900.059*
H8A0.14990.60950.47240.071*
H8B0.06900.59290.51190.071*
H100.81871.01050.68500.071*
H110.89971.08780.78710.085*
H120.96960.98710.88150.101*
H130.96350.81500.87110.091*
H160.95840.65500.85360.075*
H170.94100.48490.83090.089*
H180.85210.43120.72190.089*
H190.78490.55110.64020.073*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mn10.0497 (4)0.0463 (4)0.0413 (4)0.0042 (4)0.0067 (3)0.0005 (3)
N10.055 (2)0.043 (2)0.043 (2)0.0043 (18)0.0114 (17)0.0001 (17)
N20.054 (2)0.043 (2)0.053 (2)0.0013 (17)0.0169 (18)0.0034 (18)
O10.0504 (18)0.062 (2)0.063 (2)0.0054 (17)0.0127 (15)0.0115 (18)
O20.0546 (18)0.063 (2)0.0477 (17)0.0045 (16)0.0160 (15)0.0018 (17)
O30.0475 (19)0.064 (2)0.072 (2)0.0036 (16)0.0192 (16)0.0016 (18)
O40.078 (2)0.077 (3)0.061 (2)0.005 (2)0.0043 (19)0.0130 (19)
O50.067 (2)0.051 (2)0.056 (2)0.0017 (17)0.0006 (17)0.0161 (16)
O1W0.071 (2)0.060 (2)0.0437 (18)0.0004 (19)0.0178 (17)0.0045 (17)
C10.053 (3)0.051 (3)0.044 (3)0.000 (2)0.016 (2)0.013 (2)
C20.050 (3)0.040 (2)0.043 (2)0.002 (2)0.0119 (19)0.009 (2)
C30.063 (3)0.046 (3)0.048 (3)0.008 (2)0.017 (2)0.004 (2)
C40.056 (3)0.054 (3)0.058 (3)0.003 (2)0.020 (2)0.005 (2)
C50.045 (3)0.043 (3)0.055 (3)0.001 (2)0.014 (2)0.010 (2)
C60.059 (3)0.055 (3)0.042 (2)0.011 (2)0.007 (2)0.001 (2)
C70.048 (3)0.058 (3)0.042 (2)0.004 (2)0.013 (2)0.008 (2)
C80.043 (3)0.059 (3)0.073 (3)0.004 (2)0.009 (2)0.013 (3)
C90.043 (3)0.070 (3)0.050 (3)0.001 (2)0.017 (2)0.009 (3)
C100.068 (3)0.056 (3)0.052 (3)0.003 (3)0.013 (2)0.002 (2)
C110.077 (4)0.065 (4)0.070 (4)0.007 (3)0.017 (3)0.019 (3)
C120.093 (4)0.087 (5)0.059 (4)0.012 (4)0.007 (3)0.026 (3)
C130.093 (4)0.077 (4)0.049 (3)0.010 (3)0.001 (3)0.006 (3)
C140.047 (3)0.065 (4)0.040 (2)0.003 (2)0.014 (2)0.001 (2)
C150.047 (2)0.056 (3)0.041 (2)0.009 (2)0.0194 (19)0.008 (2)
C160.060 (3)0.076 (4)0.056 (3)0.012 (3)0.022 (2)0.011 (3)
C170.072 (4)0.083 (5)0.078 (4)0.023 (3)0.038 (3)0.034 (3)
C180.084 (4)0.043 (3)0.108 (5)0.005 (3)0.048 (4)0.002 (3)
C190.067 (3)0.051 (3)0.066 (3)0.001 (3)0.021 (3)0.005 (3)
Geometric parameters (Å, º) top
Mn1—N12.220 (4)C4—H40.9300
Mn1—N22.284 (4)C5—C61.385 (6)
Mn1—O12.274 (3)C6—C71.389 (6)
Mn1—O22.251 (3)C6—H60.9300
Mn1—O5i2.124 (3)C7—H70.9300
Mn1—O1W2.136 (4)C8—C91.537 (6)
O1—C11.257 (5)C8—H8A0.9700
O2—C11.268 (5)C8—H8B0.9700
O4—C91.242 (5)C10—C111.377 (6)
O5—C91.232 (5)C10—H100.9300
Mn1—C12.591 (5)C11—C121.369 (7)
N1—C101.338 (5)C11—H110.9300
N1—C141.343 (5)C12—C131.357 (7)
N2—C151.342 (5)C12—H120.9300
N2—C191.335 (5)C13—C141.384 (6)
O3—C51.370 (5)C13—H130.9300
O3—C81.419 (5)C14—C151.489 (6)
O5—Mn1ii2.124 (3)C15—C161.383 (6)
O1W—H1W10.85 (3)C16—C171.358 (7)
O1W—H1W20.85 (3)C16—H160.9300
C1—C21.484 (6)C17—C181.380 (7)
C2—C71.386 (6)C17—H170.9300
C2—C31.395 (6)C18—C191.381 (7)
C3—C41.375 (6)C18—H180.9300
C3—H30.9300C19—H190.9300
C4—C51.389 (6)
N1—Mn1—N272.33 (14)C2—C7—H7119.1
N1—Mn1—O194.28 (12)C3—C2—C1120.5 (4)
N1—Mn1—O2148.19 (12)C3—C4—C5119.4 (4)
O1—Mn1—N292.72 (12)C3—C4—H4120.3
O5i—Mn1—N193.22 (13)C4—C3—C2121.7 (4)
O5i—Mn1—N2165.06 (13)C4—C3—H3119.1
O5i—Mn1—O192.11 (13)C5—O3—C8119.2 (4)
O2—Mn1—N292.06 (13)C5—C4—H4120.3
O2—Mn1—O158.08 (11)C5—C6—C7119.0 (4)
O5i—Mn1—O2102.48 (12)C5—C6—H6120.5
O5i—Mn1—O1W92.08 (13)C6—C5—C4120.4 (4)
O1W—Mn1—N1103.37 (13)C6—C7—H7119.1
O1W—Mn1—N287.76 (13)C7—C2—C1121.9 (4)
O1W—Mn1—O1161.60 (12)C7—C2—C3117.6 (4)
O1W—Mn1—O2103.51 (12)C7—C6—H6120.5
Mn1—O1W—H1W1120 (4)C9—O5—Mn1ii139.6 (3)
Mn1—O1W—H1W2107 (4)C9—C8—H8A108.2
N1—Mn1—C1122.63 (15)C9—C8—H8B108.2
N1—C10—C11122.6 (5)C10—N1—Mn1122.1 (3)
N1—C10—H10118.7C10—N1—C14119.3 (4)
N1—C14—C13120.4 (5)C10—C11—H11121.2
N1—C14—C15116.5 (4)C11—C10—H10118.7
N2—Mn1—C195.33 (13)C11—C12—H12119.7
N2—C15—C14115.1 (4)C12—C11—C10117.6 (5)
N2—C15—C16122.4 (5)C12—C11—H11121.2
N2—C19—C18123.8 (5)C12—C13—C14119.5 (5)
N2—C19—H19118.1C12—C13—H13120.3
O1—Mn1—C129.01 (12)C13—C12—C11120.7 (5)
O1—C1—Mn161.3 (2)C13—C12—H12119.7
O1—C1—O2121.0 (4)C13—C14—C15123.0 (4)
O1—C1—C2119.4 (4)C14—N1—Mn1118.5 (3)
O2—Mn1—C129.28 (12)C14—C13—H13120.3
O2—C1—Mn160.3 (2)C15—N2—Mn1117.2 (3)
O2—C1—C2119.7 (4)C15—C16—H16120.3
O3—C5—C4114.8 (4)C16—C15—C14122.5 (4)
O3—C5—C6124.8 (4)C16—C17—C18119.4 (5)
O3—C8—C9116.3 (4)C16—C17—H17120.3
O3—C8—H8A108.2C17—C16—C15119.4 (5)
O3—C8—H8B108.2C17—C16—H16120.3
O4—C9—C8113.2 (4)C17—C18—C19117.8 (5)
O5i—Mn1—C195.74 (13)C17—C18—H18121.1
O5—C9—O4128.5 (5)C18—C17—H17120.3
O5—C9—C8118.4 (4)C18—C19—H19118.1
O1W—Mn1—C1132.63 (14)C19—N2—Mn1125.6 (3)
C1—O1—Mn189.6 (3)C19—N2—C15117.1 (4)
C1—O2—Mn190.4 (3)C19—C18—H18121.1
C2—C1—Mn1173.0 (3)H1W1—O1W—H1W2108 (5)
C2—C3—H3119.1H8A—C8—H8B107.4
C2—C7—C6121.8 (4)
O5i—Mn1—O1—C198.0 (3)O1—C1—C2—C7173.8 (4)
O1W—Mn1—O1—C15.0 (5)O2—C1—C2—C77.7 (6)
N1—Mn1—O1—C1168.6 (3)O1—C1—C2—C36.2 (6)
O2—Mn1—O1—C15.4 (2)O2—C1—C2—C3172.3 (4)
N2—Mn1—O1—C196.1 (3)C7—C2—C3—C40.7 (6)
O5i—Mn1—O2—C179.3 (3)C1—C2—C3—C4179.3 (4)
O1W—Mn1—O2—C1174.6 (2)C2—C3—C4—C50.2 (7)
N1—Mn1—O2—C138.5 (4)C8—O3—C5—C62.4 (6)
O1—Mn1—O2—C15.3 (2)C8—O3—C5—C4179.5 (4)
N2—Mn1—O2—C197.2 (3)C3—C4—C5—O3179.3 (4)
O5i—Mn1—N1—C102.7 (4)C3—C4—C5—C61.2 (7)
O1W—Mn1—N1—C1095.6 (4)O3—C5—C6—C7180.0 (4)
O2—Mn1—N1—C10117.4 (4)C4—C5—C6—C72.0 (7)
O1—Mn1—N1—C1089.7 (4)C3—C2—C7—C60.3 (6)
N2—Mn1—N1—C10178.8 (4)C1—C2—C7—C6179.8 (4)
C1—Mn1—N1—C1096.2 (4)C5—C6—C7—C21.6 (7)
O5i—Mn1—N1—C14178.8 (3)C5—O3—C8—C973.6 (5)
O1W—Mn1—N1—C1488.3 (3)Mn1ii—O5—C9—O419.2 (9)
O2—Mn1—N1—C1458.7 (4)Mn1ii—O5—C9—C8159.9 (3)
O1—Mn1—N1—C1486.4 (3)O3—C8—C9—O50.1 (6)
N2—Mn1—N1—C145.1 (3)O3—C8—C9—O4179.3 (4)
C1—Mn1—N1—C1479.9 (3)C14—N1—C10—C110.6 (7)
O5i—Mn1—N2—C19162.8 (5)Mn1—N1—C10—C11175.5 (4)
O1W—Mn1—N2—C1973.1 (4)N1—C10—C11—C120.4 (8)
N1—Mn1—N2—C19177.9 (4)C10—C11—C12—C131.4 (9)
O2—Mn1—N2—C1930.3 (4)C11—C12—C13—C141.4 (9)
O1—Mn1—N2—C1988.4 (4)C10—N1—C14—C130.6 (7)
C1—Mn1—N2—C1959.5 (4)Mn1—N1—C14—C13175.6 (4)
O5i—Mn1—N2—C1519.1 (7)C10—N1—C14—C15178.2 (4)
O1W—Mn1—N2—C15108.8 (3)Mn1—N1—C14—C155.6 (5)
N1—Mn1—N2—C154.0 (3)C12—C13—C14—N10.4 (8)
O2—Mn1—N2—C15147.8 (3)C12—C13—C14—C15179.1 (5)
O1—Mn1—N2—C1589.6 (3)C19—N2—C15—C160.5 (6)
C1—Mn1—N2—C15118.6 (3)Mn1—N2—C15—C16178.7 (3)
Mn1—O1—C1—O29.5 (4)C19—N2—C15—C14179.2 (4)
Mn1—O1—C1—C2172.1 (3)Mn1—N2—C15—C142.6 (5)
Mn1—O2—C1—O19.6 (4)N1—C14—C15—N21.9 (6)
Mn1—O2—C1—C2172.0 (3)C13—C14—C15—N2179.4 (4)
O5i—Mn1—C1—O184.0 (3)N1—C14—C15—C16176.9 (4)
O1W—Mn1—C1—O1177.8 (2)C13—C14—C15—C161.9 (7)
N1—Mn1—C1—O113.6 (3)N2—C15—C16—C171.6 (7)
O2—Mn1—C1—O1170.7 (4)C14—C15—C16—C17179.8 (4)
N2—Mn1—C1—O186.0 (3)C15—C16—C17—C181.3 (8)
O5i—Mn1—C1—O2105.4 (2)C16—C17—C18—C190.1 (8)
O1W—Mn1—C1—O27.2 (3)C15—N2—C19—C181.0 (7)
N1—Mn1—C1—O2157.1 (2)Mn1—N2—C19—C18177.1 (4)
O1—Mn1—C1—O2170.7 (4)C17—C18—C19—N21.3 (8)
N2—Mn1—C1—O284.7 (2)
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···O2iii0.85 (3)1.94 (2)2.732 (4)155 (5)
O1W—H1W2···O4iv0.85 (3)1.78 (2)2.609 (5)162 (6)
Symmetry codes: (iii) x+3/2, y+3/2, z+1; (iv) x+1, y+1, z+1.
 

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