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In the title complex, [Mn(C7H2N2O7)(C10H8N2)]n, the MnII atom has a distorted octa­hedral coordination geometry, defined by two N atoms from the 2,2′-bipyridine ligand and four O atoms from two 3,5-dinitro­salicylate dianions. One carboxylate O atom acts as a bridge between adjacent metal centres to form a one-dimensional chain. The Mn...Mn distance is 4.315 (6) Å. The crystal packing is stabilized by inter­molecular C—H...O hydrogen inter­actions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807005739/rz2117sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807005739/rz2117Isup2.hkl
Contains datablock I

CCDC reference: 640470

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.036
  • wR factor = 0.097
  • Data-to-parameter ratio = 15.5

checkCIF/PLATON results

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Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for N4
Alert level C PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.15 Ratio
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 2 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 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.

catena-Poly[[2,2'-bipyridine-κ2N,N')manganese(II)]-µ-3,5- dinitro-2-oxidobenzoato-κ4O,O':O',O2] top
Crystal data top
[Mn(C7H2N2O7)(C10H8N2)]F(000) = 884
Mr = 437.23Dx = 1.636 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 3252 reflections
a = 8.8952 (4) Åθ = 2.4–26.0°
b = 23.8304 (12) ŵ = 0.80 mm1
c = 8.5796 (4) ÅT = 293 K
β = 102.616 (3)°Block, yellow
V = 1774.76 (15) Å30.25 × 0.11 × 0.10 mm
Z = 4
Data collection top
Bruker APEX-II area-detector
diffractometer
4050 independent reflections
Radiation source: fine-focus sealed tube3077 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.028
φ and ω scansθmax = 27.5°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1111
Tmin = 0.826, Tmax = 0.925k = 3027
11040 measured reflectionsl = 1010
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)] = 0.036Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.097H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0467P)2 + 0.4483P]
where P = (Fo2 + 2Fc2)/3
4050 reflections(Δ/σ)max = 0.002
262 parametersΔρmax = 0.38 e Å3
0 restraintsΔρmin = 0.29 e Å3
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.3483 (3)0.86853 (10)0.5062 (3)0.0477 (6)
H10.44140.86810.47360.057*
C20.2761 (3)0.91916 (11)0.5123 (3)0.0565 (7)
H20.31850.95220.48350.068*
C30.1402 (4)0.91965 (11)0.5618 (4)0.0668 (8)
H30.08900.95330.56790.080*
C40.0794 (3)0.87006 (11)0.6027 (4)0.0605 (7)
H40.01290.87000.63690.073*
C50.1570 (2)0.82012 (9)0.5925 (3)0.0396 (5)
C60.0996 (2)0.76430 (9)0.6301 (3)0.0371 (5)
C70.0394 (3)0.75674 (10)0.6743 (3)0.0502 (6)
H70.10120.78750.68370.060*
C80.0860 (3)0.70334 (12)0.7045 (3)0.0551 (7)
H80.17800.69780.73710.066*
C90.0053 (3)0.65845 (10)0.6857 (3)0.0516 (6)
H90.02540.62200.70160.062*
C100.1430 (3)0.66855 (9)0.6429 (3)0.0445 (5)
H100.20550.63820.63170.053*
C110.5742 (2)0.80783 (8)0.8242 (2)0.0314 (4)
C120.6245 (2)0.86008 (8)0.9156 (2)0.0304 (4)
C130.7058 (2)0.89917 (8)0.8450 (3)0.0353 (5)
H130.72850.89110.74660.042*
C140.7531 (2)0.94941 (9)0.9185 (3)0.0386 (5)
C150.7215 (3)0.96332 (9)1.0642 (3)0.0415 (5)
H150.75230.99751.11290.050*
C160.6436 (2)0.92505 (9)1.1337 (3)0.0372 (5)
C170.5892 (2)0.87204 (8)1.0668 (2)0.0315 (4)
Mn10.42953 (3)0.740159 (13)0.59338 (4)0.03214 (11)
N10.2909 (2)0.81972 (7)0.5451 (2)0.0389 (4)
N20.19122 (19)0.72035 (7)0.6167 (2)0.0371 (4)
N30.8387 (2)0.98902 (8)0.8418 (3)0.0485 (5)
N40.6149 (3)0.93789 (10)1.2909 (3)0.0558 (6)
O10.61876 (16)0.79834 (6)0.69801 (17)0.0377 (3)
O20.47931 (17)0.77408 (6)0.86784 (17)0.0379 (3)
O30.51650 (17)0.83986 (6)1.14472 (18)0.0396 (4)
O40.5144 (4)0.96911 (12)1.3019 (3)0.1187 (11)
O50.6918 (3)0.91460 (15)1.4041 (3)0.1157 (10)
O60.8664 (2)1.03553 (7)0.9027 (3)0.0663 (5)
O70.8809 (2)0.97428 (8)0.7217 (2)0.0658 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0477 (13)0.0448 (14)0.0516 (15)0.0029 (11)0.0129 (11)0.0115 (11)
C20.0715 (18)0.0370 (13)0.0629 (17)0.0039 (12)0.0192 (14)0.0108 (12)
C30.084 (2)0.0371 (14)0.086 (2)0.0195 (13)0.0338 (18)0.0086 (14)
C40.0609 (16)0.0452 (15)0.084 (2)0.0148 (12)0.0340 (15)0.0058 (14)
C50.0386 (11)0.0370 (12)0.0434 (13)0.0077 (9)0.0096 (10)0.0036 (10)
C60.0313 (11)0.0377 (12)0.0416 (12)0.0032 (9)0.0063 (9)0.0028 (9)
C70.0358 (12)0.0473 (14)0.0695 (18)0.0049 (10)0.0161 (12)0.0062 (12)
C80.0351 (12)0.0616 (17)0.0714 (18)0.0106 (11)0.0176 (12)0.0105 (14)
C90.0427 (13)0.0439 (14)0.0667 (17)0.0117 (11)0.0087 (12)0.0042 (12)
C100.0392 (12)0.0344 (12)0.0580 (15)0.0039 (9)0.0063 (11)0.0055 (11)
C110.0303 (10)0.0296 (10)0.0338 (11)0.0026 (8)0.0055 (8)0.0032 (8)
C120.0294 (9)0.0261 (10)0.0351 (11)0.0008 (8)0.0060 (8)0.0002 (8)
C130.0373 (11)0.0325 (11)0.0364 (12)0.0006 (9)0.0091 (9)0.0023 (9)
C140.0399 (12)0.0290 (11)0.0478 (13)0.0048 (9)0.0116 (10)0.0064 (10)
C150.0451 (13)0.0281 (11)0.0521 (14)0.0071 (9)0.0122 (11)0.0062 (10)
C160.0398 (12)0.0343 (11)0.0389 (12)0.0046 (9)0.0115 (10)0.0057 (9)
C170.0302 (10)0.0275 (10)0.0370 (11)0.0010 (8)0.0076 (9)0.0011 (9)
Mn10.03116 (18)0.02885 (18)0.03706 (19)0.00311 (12)0.00890 (13)0.00364 (13)
N10.0385 (10)0.0361 (10)0.0427 (11)0.0050 (8)0.0097 (8)0.0064 (8)
N20.0311 (9)0.0340 (9)0.0454 (11)0.0018 (7)0.0067 (8)0.0020 (8)
N30.0512 (12)0.0353 (11)0.0602 (14)0.0083 (9)0.0148 (10)0.0077 (10)
N40.0668 (15)0.0529 (13)0.0531 (14)0.0230 (11)0.0250 (12)0.0190 (11)
O10.0386 (8)0.0380 (8)0.0388 (8)0.0024 (6)0.0133 (7)0.0067 (7)
O20.0461 (9)0.0334 (8)0.0349 (8)0.0109 (7)0.0105 (7)0.0018 (6)
O30.0464 (9)0.0346 (8)0.0417 (9)0.0103 (6)0.0176 (7)0.0034 (7)
O40.161 (3)0.112 (2)0.109 (2)0.0439 (19)0.086 (2)0.0076 (17)
O50.103 (2)0.199 (3)0.0429 (13)0.001 (2)0.0096 (13)0.0113 (17)
O60.0824 (13)0.0351 (10)0.0850 (14)0.0210 (9)0.0262 (11)0.0025 (9)
O70.0847 (14)0.0562 (12)0.0681 (13)0.0151 (10)0.0418 (12)0.0057 (10)
Geometric parameters (Å, º) top
C1—N11.341 (3)C12—C131.396 (3)
C1—C21.373 (3)C12—C171.428 (3)
C1—H10.9300C13—C141.375 (3)
C2—C31.366 (4)C13—H130.9300
C2—H20.9300C14—C151.380 (3)
C3—C41.377 (4)C14—N31.457 (3)
C3—H30.9300C15—C161.359 (3)
C4—C51.388 (3)C15—H150.9300
C4—H40.9300C16—C171.427 (3)
C5—N11.340 (3)C16—N41.459 (3)
C5—C61.485 (3)C17—O31.282 (2)
C6—N21.347 (3)Mn1—O3i2.0687 (14)
C6—C71.382 (3)Mn1—O2i2.1047 (14)
C7—C81.380 (3)Mn1—O12.2140 (15)
C7—H70.9300Mn1—N22.2230 (17)
C8—C91.374 (4)Mn1—N12.2501 (18)
C8—H80.9300Mn1—O22.4370 (14)
C9—C101.375 (3)N3—O71.223 (3)
C9—H90.9300N3—O61.227 (3)
C10—N21.342 (3)N4—O41.183 (3)
C10—H100.9300N4—O51.195 (3)
C11—O11.252 (2)O2—Mn1ii2.1047 (14)
C11—O21.279 (2)O3—Mn1ii2.0687 (14)
C11—C121.487 (3)
N1—C1—C2123.1 (2)C16—C15—C14117.4 (2)
N1—C1—H1118.5C16—C15—H15121.3
C2—C1—H1118.5C14—C15—H15121.3
C3—C2—C1118.2 (2)C15—C16—C17125.3 (2)
C3—C2—H2120.9C15—C16—N4118.27 (19)
C1—C2—H2120.9C17—C16—N4116.41 (18)
C2—C3—C4119.7 (2)O3—C17—C16119.03 (18)
C2—C3—H3120.2O3—C17—C12126.18 (18)
C4—C3—H3120.2C16—C17—C12114.79 (17)
C3—C4—C5119.4 (2)O3i—Mn1—O2i84.44 (6)
C3—C4—H4120.3O3i—Mn1—O1105.97 (6)
C5—C4—H4120.3O2i—Mn1—O1100.35 (6)
N1—C5—C4120.8 (2)O3i—Mn1—N296.01 (6)
N1—C5—C6115.46 (18)O2i—Mn1—N2116.41 (7)
C4—C5—C6123.7 (2)O1—Mn1—N2138.76 (6)
N2—C6—C7121.1 (2)O3i—Mn1—N1168.59 (6)
N2—C6—C5115.78 (19)O2i—Mn1—N1100.56 (6)
C7—C6—C5123.15 (19)O1—Mn1—N183.37 (6)
C8—C7—C6119.7 (2)N2—Mn1—N172.58 (6)
C8—C7—H7120.2O3i—Mn1—O296.86 (6)
C6—C7—H7120.2O2i—Mn1—O2155.72 (7)
C9—C8—C7119.1 (2)O1—Mn1—O255.87 (5)
C9—C8—H8120.5N2—Mn1—O287.65 (6)
C7—C8—H8120.5N1—Mn1—O282.83 (6)
C8—C9—C10118.6 (2)C5—N1—C1118.75 (19)
C8—C9—H9120.7C5—N1—Mn1115.95 (14)
C10—C9—H9120.7C1—N1—Mn1123.61 (15)
N2—C10—C9122.8 (2)C10—N2—C6118.66 (19)
N2—C10—H10118.6C10—N2—Mn1123.80 (14)
C9—C10—H10118.6C6—N2—Mn1116.68 (14)
O1—C11—O2119.56 (18)O7—N3—O6123.2 (2)
O1—C11—C12119.42 (18)O7—N3—C14118.79 (19)
O2—C11—C12120.90 (18)O6—N3—C14118.0 (2)
C13—C12—C17119.88 (18)O4—N4—O5122.4 (3)
C13—C12—C11117.03 (18)O4—N4—C16119.6 (3)
C17—C12—C11123.06 (17)O5—N4—C16118.0 (2)
C14—C13—C12121.1 (2)C11—O1—Mn196.15 (12)
C14—C13—H13119.4C11—O2—Mn1ii130.93 (13)
C12—C13—H13119.4C11—O2—Mn185.29 (11)
C13—C14—C15121.50 (19)Mn1ii—O2—Mn1143.57 (7)
C13—C14—N3119.6 (2)C17—O3—Mn1ii130.42 (13)
C15—C14—N3118.9 (2)
Symmetry codes: (i) x, y+3/2, z1/2; (ii) x, y+3/2, z+1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C13—H13···O10.932.422.745 (3)101
C3—H3···O7iii0.932.553.206 (3)128
C7—H7···O1iii0.932.533.247 (3)134
C10—H10···O6iv0.932.533.193 (3)129
Symmetry codes: (iii) x1, y, z; (iv) x+1, y1/2, z+3/2.
 

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