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In the title compound, [Cu(C8H3NO6)(C10H8N2)]n, the Cu atom exists in a four-coordinate environment defined by two carboxyl O atoms belonging to two 5-nitro­isophthalate dianions and two N atoms from a 2,2′-bipyridine molecule. The 5-nitro­isophthalate dianion acts as a bridge between two Cu atoms in a tris-monodentate coordination mode, resulting in a zigzag coordination polymer.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804032970/ng6073sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804032970/ng6073Isup2.hkl
Contains datablock I

CCDC reference: 262275

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.040
  • wR factor = 0.097
  • Data-to-parameter ratio = 14.7

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 2.62 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O1 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.02
Alert level G
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Bruker, 2002); software used to prepare material for publication: SHELXL97.

catena-Poly[[(2,2'-bipyridine)copper(II)]-µ-5-nitroisophthalato] top
Crystal data top
[Cu(C8H3NO6)(C10H8N2)]F(000) = 868
Mr = 428.84Dx = 1.728 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 3556 reflections
a = 9.5529 (11) Åθ = 2.2–28.0°
b = 12.6089 (14) ŵ = 1.37 mm1
c = 13.7463 (16) ÅT = 298 K
β = 95.238 (2)°Block, blue
V = 1648.8 (3) Å30.30 × 0.22 × 0.13 mm
Z = 4
Data collection top
Bruker APEX area-detector
diffractometer
3713 independent reflections
Radiation source: fine-focus sealed tube3266 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.024
φ and ω scansθmax = 27.5°, θmin = 2.1°
Absorption correction: integration
(SADABS; Bruker, 2002)
h = 1212
Tmin = 0.684, Tmax = 0.842k = 716
9984 measured reflectionsl = 1717
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)] = 0.040Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.097H-atom parameters not defined?
S = 1.05 w = 1/[σ2(Fo2) + (0.0472P)2 + 0.9168P]
where P = (Fo2 + 2Fc2)/3
3713 reflections(Δ/σ)max < 0.001
253 parametersΔρmax = 0.36 e Å3
0 restraintsΔρmin = 0.26 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu10.63928 (3)0.49329 (2)0.439222 (19)0.02441 (11)
O10.69814 (19)0.36958 (18)0.27940 (14)0.0496 (5)
O20.54298 (19)0.49364 (12)0.31078 (12)0.0306 (4)
O30.54050 (18)0.12488 (13)0.00557 (11)0.0316 (4)
O40.4132 (2)0.20218 (17)0.13129 (14)0.0586 (6)
O50.2053 (2)0.61591 (18)0.05076 (16)0.0626 (7)
O60.1410 (3)0.5108 (2)0.06762 (17)0.0803 (10)
N10.75910 (19)0.61592 (15)0.40514 (13)0.0255 (4)
N20.7737 (2)0.49919 (15)0.56109 (15)0.0295 (5)
N30.2168 (3)0.5340 (2)0.00489 (16)0.0424 (6)
C10.7367 (2)0.67571 (19)0.32486 (17)0.0313 (5)
H10.66050.66030.28010.038*
C20.8230 (3)0.7593 (2)0.3064 (2)0.0431 (7)
H20.80530.80010.25020.052*
C30.9360 (3)0.7813 (2)0.3728 (2)0.0509 (8)
H30.99700.83650.36120.061*
C40.9584 (3)0.7214 (2)0.4562 (2)0.0416 (6)
H41.03340.73630.50220.050*
C50.8678 (2)0.63852 (19)0.47103 (16)0.0275 (5)
C60.8790 (2)0.56972 (19)0.55786 (16)0.0279 (5)
C70.9881 (2)0.5748 (2)0.63163 (18)0.0349 (6)
H71.06070.62340.62820.042*
C80.9876 (3)0.5067 (2)0.70998 (19)0.0405 (7)
H81.06150.50710.75900.049*
C90.8762 (3)0.4379 (2)0.71497 (19)0.0434 (7)
H90.87230.39300.76830.052*
C100.7707 (3)0.4371 (2)0.63936 (18)0.0390 (6)
H100.69480.39150.64320.047*
C110.5921 (2)0.42224 (19)0.25698 (16)0.0295 (5)
C120.5083 (2)0.40583 (18)0.15967 (16)0.0265 (5)
C130.4049 (3)0.47762 (19)0.12727 (17)0.0290 (5)
H130.38790.53730.16410.035*
C140.3277 (2)0.4589 (2)0.03931 (17)0.0292 (5)
C150.3491 (2)0.37116 (19)0.01775 (16)0.0289 (5)
H150.29520.36090.07680.035*
C160.4521 (2)0.29879 (18)0.01453 (16)0.0253 (5)
C170.5311 (2)0.31728 (18)0.10303 (16)0.0274 (5)
H170.60090.26920.12480.033*
C180.4699 (3)0.20208 (19)0.04856 (17)0.0306 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.02518 (17)0.02655 (17)0.02028 (16)0.00525 (11)0.00451 (11)0.00048 (10)
O10.0341 (10)0.0678 (14)0.0433 (11)0.0121 (10)0.0161 (8)0.0090 (10)
O20.0382 (10)0.0291 (9)0.0224 (8)0.0058 (7)0.0079 (7)0.0012 (6)
O30.0389 (9)0.0287 (9)0.0259 (8)0.0109 (7)0.0042 (7)0.0025 (7)
O40.0857 (16)0.0521 (13)0.0325 (10)0.0363 (12)0.0251 (10)0.0152 (9)
O50.0792 (16)0.0522 (13)0.0526 (13)0.0394 (12)0.0136 (11)0.0133 (11)
O60.090 (2)0.089 (2)0.0523 (15)0.0562 (15)0.0422 (15)0.0247 (12)
N10.0251 (9)0.0249 (10)0.0258 (9)0.0016 (8)0.0010 (7)0.0012 (8)
N20.0292 (11)0.0350 (12)0.0232 (10)0.0003 (8)0.0048 (8)0.0006 (8)
N30.0479 (14)0.0461 (13)0.0312 (12)0.0224 (11)0.0064 (10)0.0008 (10)
C10.0298 (12)0.0313 (13)0.0317 (12)0.0033 (10)0.0025 (10)0.0006 (10)
C20.0478 (16)0.0374 (15)0.0429 (15)0.0093 (12)0.0029 (12)0.0102 (12)
C30.0526 (17)0.0399 (16)0.0586 (18)0.0227 (13)0.0045 (15)0.0066 (14)
C40.0372 (14)0.0418 (15)0.0431 (15)0.0154 (12)0.0102 (12)0.0038 (12)
C50.0239 (11)0.0283 (12)0.0295 (11)0.0007 (9)0.0017 (9)0.0079 (9)
C60.0250 (11)0.0321 (13)0.0263 (11)0.0014 (9)0.0003 (9)0.0099 (9)
C70.0258 (12)0.0448 (15)0.0327 (13)0.0019 (11)0.0060 (10)0.0133 (11)
C80.0372 (15)0.0559 (18)0.0261 (12)0.0111 (12)0.0103 (11)0.0116 (11)
C90.0472 (16)0.0569 (18)0.0248 (12)0.0098 (14)0.0045 (11)0.0030 (12)
C100.0409 (14)0.0456 (16)0.0293 (13)0.0023 (12)0.0025 (11)0.0044 (11)
C110.0296 (12)0.0328 (13)0.0247 (11)0.0082 (10)0.0048 (9)0.0004 (10)
C120.0262 (11)0.0294 (12)0.0230 (11)0.0018 (9)0.0030 (9)0.0001 (9)
C130.0344 (13)0.0265 (12)0.0255 (11)0.0012 (10)0.0014 (10)0.0032 (9)
C140.0313 (12)0.0284 (12)0.0267 (11)0.0071 (10)0.0038 (10)0.0026 (10)
C150.0327 (12)0.0327 (13)0.0200 (10)0.0025 (10)0.0051 (9)0.0008 (9)
C160.0277 (11)0.0247 (11)0.0230 (11)0.0004 (9)0.0008 (9)0.0005 (9)
C170.0266 (11)0.0266 (12)0.0278 (11)0.0015 (9)0.0039 (9)0.0014 (9)
C180.0332 (12)0.0310 (13)0.0264 (12)0.0049 (10)0.0032 (10)0.0030 (10)
Geometric parameters (Å, º) top
Cu1—O21.9149 (17)C4—C51.383 (3)
Cu1—O3i1.9538 (16)C4—H40.9300
Cu1—N12.0046 (19)C5—C61.471 (3)
Cu1—N22.017 (2)C6—C71.388 (3)
O1—C111.227 (3)C7—C81.377 (4)
O2—C111.281 (3)C7—H70.9300
O3—C181.296 (3)C8—C91.379 (4)
O3—Cu1ii1.9538 (16)C8—H80.9300
O4—C181.214 (3)C9—C101.380 (4)
O5—N31.220 (3)C9—H90.9300
O6—N31.213 (3)C10—H100.9300
N1—C11.338 (3)C11—C121.509 (3)
N1—C51.345 (3)C12—C131.383 (3)
N2—C101.333 (3)C12—C171.390 (3)
N2—C61.346 (3)C13—C141.378 (3)
N3—C141.467 (3)C13—H130.9300
C1—C21.376 (3)C14—C151.382 (3)
C1—H10.9300C15—C161.385 (3)
C2—C31.377 (4)C15—H150.9300
C2—H20.9300C16—C171.392 (3)
C3—C41.374 (4)C16—C181.515 (3)
C3—H30.9300C17—H170.9300
O2—Cu1—O3i98.71 (7)C8—C7—H7120.4
O2—Cu1—N191.11 (7)C6—C7—H7120.4
O3i—Cu1—N1170.18 (7)C7—C8—C9119.2 (2)
O2—Cu1—N2168.97 (8)C7—C8—H8120.4
O3i—Cu1—N289.94 (7)C9—C8—H8120.4
N1—Cu1—N280.32 (8)C8—C9—C10118.8 (3)
C11—O2—Cu1111.11 (15)C8—C9—H9120.6
C18—O3—Cu1ii130.20 (15)C10—C9—H9120.6
C1—N1—C5119.5 (2)N2—C10—C9122.3 (3)
C1—N1—Cu1125.16 (15)N2—C10—H10118.8
C5—N1—Cu1115.37 (15)C9—C10—H10118.8
C10—N2—C6119.1 (2)O1—C11—O2125.0 (2)
C10—N2—Cu1126.14 (18)O1—C11—C12120.5 (2)
C6—N2—Cu1114.70 (16)O2—C11—C12114.5 (2)
O6—N3—O5123.6 (2)C13—C12—C17119.3 (2)
O6—N3—C14117.9 (2)C13—C12—C11120.1 (2)
O5—N3—C14118.5 (2)C17—C12—C11120.6 (2)
N1—C1—C2122.1 (2)C14—C13—C12118.7 (2)
N1—C1—H1119.0C14—C13—H13120.7
C2—C1—H1119.0C12—C13—H13120.7
C1—C2—C3118.6 (3)C13—C14—C15122.7 (2)
C1—C2—H2120.7C13—C14—N3119.0 (2)
C3—C2—H2120.7C15—C14—N3118.3 (2)
C4—C3—C2119.7 (3)C14—C15—C16118.9 (2)
C4—C3—H3120.1C14—C15—H15120.6
C2—C3—H3120.1C16—C15—H15120.6
C3—C4—C5119.1 (2)C15—C16—C17118.9 (2)
C3—C4—H4120.4C15—C16—C18117.43 (19)
C5—C4—H4120.4C17—C16—C18123.7 (2)
N1—C5—C4121.1 (2)C12—C17—C16121.6 (2)
N1—C5—C6114.5 (2)C12—C17—H17119.2
C4—C5—C6124.4 (2)C16—C17—H17119.2
N2—C6—C7121.3 (2)O4—C18—O3126.7 (2)
N2—C6—C5114.67 (19)O4—C18—C16118.1 (2)
C7—C6—C5124.0 (2)O3—C18—C16115.13 (19)
C8—C7—C6119.1 (2)
Symmetry codes: (i) x, y+1/2, z+1/2; (ii) x, y+1/2, z1/2.
 

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