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Acta Crystallogr Sect E Struct Rep Online. 2008 January 1; 64(Pt 1): m162–m163.
Published online 2007 December 12. doi:  10.1107/S1600536807065294
PMCID: PMC2915100

The one-dimensional polymer poly[[aqua­(2,2′-bipyridine)cadmium(II)]-μ-trans-stilbene-4,4′-dicarboxyl­ato]

Abstract

In the title polymer, [Cd(C16H10O4)(C10H8N2)(H2O)]n, the CdII ion is in a strongly distorted octa­hedral geometry, being coordinated by two N atoms from a 2,2′-bipyridine ligand, three carboxylate O atoms from two symmetry-related trans-stilbene-4,4′-dicarboxyl­ate dianions and one water mol­ecule. The stilbene ligand lies on an inversion centre at the midpoint of the central C=C bond. This feature generates the polymeric structure: adjacent CdII ions are bridged by trans-stilbene-4,4′-dicarboxyl­ate dianions, giving rise to a one-dimensional structure. The coordinated water mol­ecule is involved in interchain O—H(...)O hydrogen bonds.

Related literature

A closely related NiII complex with 1,10-phenanthroline and the trans-stilbene-4,4′-dicarboxyl­ate dianion as ligands has been characterized by X-ray diffraction (Wang et al., 2006 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-64-0m162-scheme1.jpg

Experimental

Crystal data

  • [Cd(C16H10O4)(C10H8N2)(H2O)]
  • M r = 552.84
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-64-0m162-efi1.jpg
  • a = 10.543 (2) Å
  • b = 10.838 (2) Å
  • c = 11.442 (2) Å
  • α = 98.90 (3)°
  • β = 115.07 (3)°
  • γ = 102.95 (3)°
  • V = 1107.0 (6) Å3
  • Z = 2
  • Mo Kα radiation
  • μ = 1.03 mm−1
  • T = 295 (2) K
  • 0.35 × 0.26 × 0.15 mm

Data collection

  • Rigaku R-AXIS RAPID diffractometer
  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995 [triangle]) T min = 0.715, T max = 0.861
  • 10929 measured reflections
  • 5024 independent reflections
  • 4482 reflections with I > 2σ(I)
  • R int = 0.019

Refinement

  • R[F 2 > 2σ(F 2)] = 0.027
  • wR(F 2) = 0.073
  • S = 1.08
  • 5024 reflections
  • 313 parameters
  • 3 restraints
  • H atoms treated by a mixture of independent and constrained refinement
  • Δρmax = 0.56 e Å−3
  • Δρmin = −0.34 e Å−3

Data collection: RAPID-AUTO (Rigaku, 1998 [triangle]); cell refinement: RAPID-AUTO; data reduction: RAPID-AUTO; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 [triangle]); molecular graphics: DIAMOND (Brandenburg, 1998 [triangle]); software used to prepare material for publication: SHELXL97.

Table 1
Selected geometric parameters (Å, °)
Table 2
Hydrogen-bond geometry (Å, °)

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536807065294/bh2152sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807065294/bh2152Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Acknowledgments

We thank the Heilongjiang Province Natural Science Foundation (No. B200501) and the Scientific Fund for Remarkable Teachers of Heilongjiang Province (No. 1054 G036), Heilongjiang University, for supporting this work.

supplementary crystallographic information

Comment

We are interested in the solid-state coordination chemistry of trans-stilbene-4,4'-dicarboxylic acid, combined with specific transition metal ions, to fabricate versatile coordination polymers. In our previous work, a one-dimensional NiII-organic framework had been reported (Wang et al., 2006). In order to further explore the behavior of trans-stilbene-4,4'-dicarboxylic acid as ligand, a new one-dimensional CdII complex has been obtained and characterized.

The molecular structure of the title compound is illustrated in Fig. 1. The CdII ion is in a strongly distorted octahedral geometry and is coordinated by two N atoms of a 2,2'-bipyridine ligand, three carboxyl O atoms of two symmetry-related trans-stilbene-4,4'-dicarboxylato dianions, which adopted two different coordination modes, and one water molecule. One of the two carboxylic ligands is found in the bis-monodentate mode, and the other in the chelating bis-bidentate mode, linking the adjacent CdII ions into a zigzag chain structure. In addition, the chains are interconnected through intermolecular hydrogen bonds involving water molecules, and π–π interactions involving 2,2'-bipyridine ligands, [centroid-to-centroid separation: 3.8749 (10) Å], forming a three-dimensional supramolecular network (Table 2 and Fig. 2).

Experimental

A mixture of CdCl2.6H2O (1 mmol), 2,2'-bipyridine (1 mmol), trans-stilbene-4,4'-dicarboxylic acid (1 mmol) and water (10 ml) was stirred for 15 min. in air, then transferred and sealed in a 23 ml Parr teflon-lined stainless steel vessel, heated to 433 K for 5 days, and then cooled to room temperature. The resulting colorrless crystals were filtered, washed, and dried in air. Analysis calculated for C26H20CdN2O5: C 56.31, H 3.64, N 5.05%; found: C 56.34, H 3.62, N 5.03%.

Refinement

Water H atoms were located in a difference map and refined with O—H and H···H distances restrained to 0.85 (1) and 1.39 (1) Å, respectively, and Uiso(H) = 1.5Ueq(O1W). All other H atoms were placed in calculated positions with C—H = 0.93 Å and Uiso(H) = 1.2Ueq(carrier C), and were refined in the riding-model approximation.

Figures

Fig. 1.
The molecular structure of the title complex. C-bonded H atoms have been omitted for clarity.
Fig. 2.
The packing diagram of the title complex, with the intermolecular hydrogen bonds denoted by dashed lines.

Crystal data

[Cd(C16H10O4)(C10H8N2)(H2O)]Z = 2
Mr = 552.84F000 = 556
Triclinic, P1Dx = 1.659 Mg m3
Hall symbol: -P 1Mo Kα radiation λ = 0.71073 Å
a = 10.543 (2) ÅCell parameters from 9882 reflections
b = 10.838 (2) Åθ = 3.1–27.5º
c = 11.442 (2) ŵ = 1.03 mm1
α = 98.90 (3)ºT = 295 (2) K
β = 115.07 (3)ºBlock, colourless
γ = 102.95 (3)º0.35 × 0.26 × 0.15 mm
V = 1107.0 (6) Å3

Data collection

Rigaku R-AXIS RAPID diffractometer5024 independent reflections
Radiation source: fine-focus sealed tube4482 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.019
Detector resolution: 10.000 pixels mm-1θmax = 27.5º
T = 295(2) Kθmin = 3.1º
ω scansh = −13→13
Absorption correction: multi-scan(ABSCOR; Higashi, 1995)k = −14→14
Tmin = 0.715, Tmax = 0.861l = −13→14
10929 measured reflections

Refinement

Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.027H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.073  w = 1/[σ2(Fo2) + (0.0341P)2 + 0.8869P] where P = (Fo2 + 2Fc2)/3
S = 1.08(Δ/σ)max < 0.001
5024 reflectionsΔρmax = 0.56 e Å3
313 parametersΔρmin = −0.34 e Å3
3 restraintsExtinction correction: none
Primary atom site location: structure-invariant direct methods

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

xyzUiso*/Ueq
Cd10.250536 (19)0.691211 (19)0.648737 (17)0.02976 (7)
O10.1953 (2)0.9264 (2)0.6820 (2)0.0420 (5)
O1W0.1557 (2)0.4774 (2)0.6441 (2)0.0375 (4)
H1W20.088 (3)0.475 (3)0.666 (3)0.056*
H1W10.121 (3)0.419 (3)0.570 (2)0.056*
O20.0352 (2)0.7264 (2)0.5764 (2)0.0448 (5)
O30.3107 (2)0.6262 (2)0.49176 (19)0.0474 (5)
O40.0819 (3)0.5544 (3)0.3238 (2)0.0666 (7)
N10.5016 (2)0.7824 (2)0.7968 (2)0.0334 (5)
N20.2902 (2)0.7500 (2)0.8731 (2)0.0339 (5)
C10.6036 (3)0.7890 (3)0.7554 (3)0.0420 (6)
H10.57190.75960.66370.050*
C20.7535 (3)0.8376 (3)0.8427 (3)0.0502 (8)
H20.82180.84110.81100.060*
C30.7991 (3)0.8808 (4)0.9778 (3)0.0539 (8)
H30.89950.91381.03930.065*
C40.6959 (3)0.8750 (3)1.0219 (3)0.0455 (7)
H40.72610.90511.11320.055*
C50.5465 (3)0.8241 (2)0.9295 (2)0.0315 (5)
C60.4290 (3)0.8130 (2)0.9701 (2)0.0307 (5)
C70.4608 (4)0.8664 (3)1.1016 (3)0.0436 (7)
H70.55790.91001.16850.052*
C80.3456 (4)0.8533 (3)1.1311 (3)0.0510 (8)
H80.36460.88831.21860.061*
C90.2027 (4)0.7887 (3)1.0315 (3)0.0483 (7)
H90.12380.77911.04980.058*
C100.1799 (3)0.7382 (3)0.9030 (3)0.0413 (6)
H100.08350.69420.83470.050*
C110.0672 (3)0.8507 (3)0.6204 (2)0.0333 (5)
C12−0.0621 (3)0.8999 (3)0.5960 (2)0.0313 (5)
C13−0.2056 (3)0.8142 (3)0.5195 (3)0.0434 (7)
H13−0.22200.72540.48460.052*
C14−0.3248 (3)0.8590 (3)0.4943 (3)0.0426 (7)
H15−0.42040.80000.44180.051*
C15−0.3044 (3)0.9907 (3)0.5460 (3)0.0307 (5)
C16−0.1598 (3)1.0773 (3)0.6219 (3)0.0350 (6)
H16−0.14331.16610.65740.042*
C17−0.0405 (3)1.0325 (3)0.6451 (3)0.0340 (5)
H120.05521.09190.69410.041*
C18−0.4307 (3)1.0377 (3)0.5217 (3)0.0327 (5)
H18−0.41261.12840.53800.039*
C190.2159 (3)0.5721 (3)0.3699 (3)0.0340 (6)
C200.2723 (3)0.5366 (2)0.2737 (2)0.0275 (5)
C210.4203 (3)0.5479 (3)0.3167 (2)0.0307 (5)
H210.48490.56870.40820.037*
C220.4726 (3)0.5286 (3)0.2259 (3)0.0320 (5)
H220.57220.53780.25710.038*
C230.3784 (3)0.4955 (2)0.0874 (2)0.0293 (5)
C240.2285 (3)0.4760 (3)0.0450 (3)0.0362 (6)
H240.16220.4486−0.04660.043*
C250.1767 (3)0.4965 (3)0.1363 (3)0.0346 (6)
H250.07630.48330.10530.041*
C260.4304 (3)0.4834 (3)−0.0125 (3)0.0336 (5)
H260.35840.4489−0.10230.040*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Cd10.02380 (10)0.04032 (11)0.02192 (9)0.01038 (7)0.01061 (7)0.00110 (7)
O10.0278 (9)0.0503 (12)0.0424 (11)0.0118 (9)0.0134 (8)0.0094 (9)
O1W0.0276 (9)0.0412 (11)0.0387 (10)0.0081 (8)0.0165 (8)0.0004 (8)
O20.0328 (10)0.0434 (11)0.0434 (11)0.0182 (9)0.0076 (9)−0.0041 (9)
O30.0433 (11)0.0654 (14)0.0298 (10)0.0133 (10)0.0216 (9)−0.0024 (9)
O40.0371 (12)0.107 (2)0.0525 (13)0.0131 (13)0.0317 (11)−0.0010 (14)
N10.0301 (11)0.0377 (12)0.0269 (10)0.0086 (9)0.0120 (9)0.0031 (9)
N20.0318 (11)0.0385 (12)0.0261 (10)0.0087 (10)0.0119 (9)0.0050 (9)
C10.0362 (14)0.0506 (17)0.0383 (14)0.0113 (13)0.0200 (12)0.0075 (13)
C20.0329 (15)0.058 (2)0.0551 (19)0.0101 (14)0.0222 (14)0.0078 (16)
C30.0287 (14)0.065 (2)0.0487 (18)0.0090 (14)0.0082 (13)0.0034 (16)
C40.0367 (15)0.0524 (18)0.0305 (14)0.0118 (13)0.0065 (12)−0.0004 (13)
C50.0327 (13)0.0297 (12)0.0255 (11)0.0112 (11)0.0089 (10)0.0035 (10)
C60.0368 (13)0.0288 (12)0.0230 (11)0.0107 (11)0.0124 (10)0.0041 (9)
C70.0462 (16)0.0462 (16)0.0245 (12)0.0081 (13)0.0116 (12)−0.0010 (12)
C80.067 (2)0.0551 (19)0.0290 (14)0.0143 (17)0.0279 (15)0.0004 (13)
C90.0561 (19)0.0530 (18)0.0438 (16)0.0145 (15)0.0341 (15)0.0085 (14)
C100.0366 (14)0.0465 (16)0.0376 (14)0.0089 (13)0.0192 (12)0.0058 (12)
C110.0296 (13)0.0454 (15)0.0242 (11)0.0159 (12)0.0116 (10)0.0063 (11)
C120.0280 (12)0.0370 (13)0.0294 (12)0.0131 (11)0.0139 (10)0.0067 (10)
C130.0317 (14)0.0350 (14)0.0544 (17)0.0127 (12)0.0170 (13)−0.0034 (13)
C140.0265 (13)0.0371 (15)0.0527 (17)0.0080 (12)0.0145 (12)−0.0014 (13)
C150.0285 (12)0.0368 (13)0.0299 (12)0.0140 (11)0.0146 (10)0.0110 (10)
C160.0356 (14)0.0315 (13)0.0356 (13)0.0131 (11)0.0149 (11)0.0059 (11)
C170.0285 (12)0.0362 (14)0.0316 (13)0.0092 (11)0.0117 (11)0.0046 (11)
C180.0326 (13)0.0360 (14)0.0307 (12)0.0152 (11)0.0143 (11)0.0090 (10)
C190.0370 (14)0.0363 (14)0.0330 (13)0.0058 (11)0.0256 (12)0.0026 (11)
C200.0303 (12)0.0285 (12)0.0269 (11)0.0071 (10)0.0191 (10)0.0032 (9)
C210.0286 (12)0.0361 (13)0.0238 (11)0.0079 (10)0.0124 (10)0.0025 (10)
C220.0269 (12)0.0406 (14)0.0309 (12)0.0125 (11)0.0168 (10)0.0048 (11)
C230.0319 (12)0.0328 (13)0.0281 (12)0.0110 (10)0.0191 (10)0.0060 (10)
C240.0312 (13)0.0525 (17)0.0236 (12)0.0130 (12)0.0137 (10)0.0060 (11)
C250.0269 (12)0.0508 (16)0.0284 (12)0.0128 (12)0.0168 (11)0.0064 (11)
C260.0345 (13)0.0434 (15)0.0270 (12)0.0139 (12)0.0187 (11)0.0065 (11)

Geometric parameters (Å, °)

Cd1—O22.209 (2)C9—H90.9300
Cd1—O12.745 (2)C10—H100.9300
Cd1—O32.2129 (19)C11—C121.506 (3)
Cd1—O1W2.291 (2)C12—C131.383 (4)
Cd1—N12.316 (3)C12—C171.388 (4)
Cd1—N22.375 (2)C13—C141.382 (4)
O1—C111.230 (3)C13—H130.9300
O1W—H1W20.85 (4)C14—C151.388 (4)
O1W—H1W10.850 (10)C14—H150.9300
O2—C111.274 (3)C15—C161.394 (4)
O3—C191.261 (3)C15—C181.465 (3)
O4—C191.236 (3)C16—C171.385 (4)
N1—C11.339 (4)C16—H160.9300
N1—C51.348 (3)C17—H120.9300
N2—C101.330 (4)C18—C18i1.332 (5)
N2—C61.335 (3)C18—H180.9300
C1—C21.377 (4)C19—C201.496 (3)
C1—H10.9300C20—C251.388 (3)
C2—C31.373 (5)C20—C211.392 (3)
C2—H20.9300C21—C221.377 (3)
C3—C41.373 (5)C21—H210.9300
C3—H30.9300C22—C231.399 (4)
C4—C51.386 (4)C22—H220.9300
C4—H40.9300C23—C241.395 (4)
C5—C61.484 (4)C23—C261.463 (3)
C6—C71.389 (4)C24—C251.380 (3)
C7—C81.376 (5)C24—H240.9300
C7—H70.9300C25—H250.9300
C8—C91.373 (5)C26—C26ii1.319 (5)
C8—H80.9300C26—H260.9300
C9—C101.382 (4)
O1—Cd1—O1W139.33 (8)C10—C9—H9121.0
O1—Cd1—O251.29 (8)N2—C10—C9122.6 (3)
O1—Cd1—O3120.67 (8)N2—C10—H10118.7
O1—Cd1—N194.47 (8)C9—C10—H10118.7
O1—Cd1—N274.71 (8)O1—C11—O2122.7 (2)
O2—Cd1—O3115.76 (8)O1—C11—C12121.5 (2)
O2—Cd1—O1W94.06 (8)O2—C11—C12115.8 (2)
O3—Cd1—O1W91.48 (8)C13—C12—C17118.5 (2)
O2—Cd1—N1144.70 (8)C13—C12—C11120.5 (2)
O3—Cd1—N187.35 (8)C17—C12—C11121.0 (2)
O1W—Cd1—N1112.58 (8)C14—C13—C12120.8 (3)
O2—Cd1—N289.94 (8)C14—C13—H13119.6
O3—Cd1—N2154.30 (8)C12—C13—H13119.6
O1W—Cd1—N286.30 (8)C13—C14—C15121.1 (3)
N1—Cd1—N270.07 (8)C13—C14—H15119.4
Cd1—O1—C1180.8 (2)C15—C14—H15119.4
Cd1—O1W—H1W2107 (2)C14—C15—C16118.0 (2)
Cd1—O1W—H1W1116 (2)C14—C15—C18121.2 (2)
H1W2—O1W—H1W1109.2 (16)C16—C15—C18120.8 (2)
C11—O2—Cd1105.08 (17)C17—C16—C15120.7 (2)
C19—O3—Cd1122.77 (18)C17—C16—H16119.6
C1—N1—C5119.0 (2)C15—C16—H16119.6
C1—N1—Cd1122.10 (18)C16—C17—C12120.8 (3)
C5—N1—Cd1118.82 (18)C16—C17—H12119.6
C10—N2—C6119.4 (2)C12—C17—H12119.6
C10—N2—Cd1122.77 (19)C18i—C18—C15125.8 (3)
C6—N2—Cd1117.27 (17)C18i—C18—H18117.1
N1—C1—C2122.9 (3)C15—C18—H18117.1
N1—C1—H1118.6O4—C19—O3124.5 (2)
C2—C1—H1118.6O4—C19—C20118.2 (2)
C3—C2—C1118.1 (3)O3—C19—C20117.2 (2)
C3—C2—H2121.0C25—C20—C21118.0 (2)
C1—C2—H2121.0C25—C20—C19119.7 (2)
C4—C3—C2119.8 (3)C21—C20—C19122.3 (2)
C4—C3—H3120.1C22—C21—C20121.1 (2)
C2—C3—H3120.1C22—C21—H21119.5
C3—C4—C5119.6 (3)C20—C21—H21119.5
C3—C4—H4120.2C21—C22—C23121.1 (2)
C5—C4—H4120.2C21—C22—H22119.4
N1—C5—C4120.7 (3)C23—C22—H22119.4
N1—C5—C6116.8 (2)C24—C23—C22117.4 (2)
C4—C5—C6122.5 (2)C24—C23—C26119.5 (2)
N2—C6—C7121.3 (3)C22—C23—C26123.1 (2)
N2—C6—C5116.6 (2)C25—C24—C23121.3 (2)
C7—C6—C5122.1 (3)C25—C24—H24119.4
C8—C7—C6118.7 (3)C23—C24—H24119.4
C8—C7—H7120.7C24—C25—C20120.9 (2)
C6—C7—H7120.7C24—C25—H25119.5
C9—C8—C7120.0 (3)C20—C25—H25119.5
C9—C8—H8120.0C26ii—C26—C23126.3 (3)
C7—C8—H8120.0C26ii—C26—H26116.8
C8—C9—C10118.0 (3)C23—C26—H26116.8
C8—C9—H9121.0
O3—Cd1—O2—C11−111.71 (18)N2—C6—C7—C8−0.1 (4)
O1W—Cd1—O2—C11154.68 (18)C5—C6—C7—C8179.3 (3)
N1—Cd1—O2—C1114.6 (3)C6—C7—C8—C90.0 (5)
N2—Cd1—O2—C1168.40 (18)C7—C8—C9—C100.1 (5)
O2—Cd1—O3—C19−22.1 (3)C6—N2—C10—C9−0.1 (4)
O1W—Cd1—O3—C1973.1 (2)Cd1—N2—C10—C9−171.0 (2)
N1—Cd1—O3—C19−174.3 (2)C8—C9—C10—N20.0 (5)
N2—Cd1—O3—C19157.7 (2)Cd1—O2—C11—O13.9 (3)
O2—Cd1—N1—C1−125.3 (2)Cd1—O2—C11—C12−174.36 (17)
O3—Cd1—N1—C18.2 (2)O1—C11—C12—C13176.0 (3)
O1W—Cd1—N1—C198.7 (2)O2—C11—C12—C13−5.6 (4)
N2—Cd1—N1—C1175.6 (2)O1—C11—C12—C17−1.5 (4)
O2—Cd1—N1—C558.1 (3)O2—C11—C12—C17176.8 (2)
O3—Cd1—N1—C5−168.5 (2)C17—C12—C13—C14−1.0 (5)
O1W—Cd1—N1—C5−78.0 (2)C11—C12—C13—C14−178.7 (3)
N2—Cd1—N1—C5−1.02 (18)C12—C13—C14—C15−0.7 (5)
O2—Cd1—N2—C1025.7 (2)C13—C14—C15—C161.3 (4)
O3—Cd1—N2—C10−154.1 (2)C13—C14—C15—C18−178.7 (3)
O1W—Cd1—N2—C10−68.4 (2)C14—C15—C16—C17−0.2 (4)
N1—Cd1—N2—C10176.0 (2)C18—C15—C16—C17179.8 (2)
O2—Cd1—N2—C6−145.44 (19)C15—C16—C17—C12−1.5 (4)
O3—Cd1—N2—C634.8 (3)C13—C12—C17—C162.1 (4)
O1W—Cd1—N2—C6120.49 (19)C11—C12—C17—C16179.8 (2)
N1—Cd1—N2—C64.85 (18)C14—C15—C18—C18i16.2 (5)
C5—N1—C1—C2−0.4 (4)C16—C15—C18—C18i−163.8 (3)
Cd1—N1—C1—C2−177.1 (2)Cd1—O3—C19—O43.1 (4)
N1—C1—C2—C30.0 (5)Cd1—O3—C19—C20178.25 (17)
C1—C2—C3—C4−0.2 (5)O4—C19—C20—C255.7 (4)
C2—C3—C4—C50.8 (5)O3—C19—C20—C25−169.8 (3)
C1—N1—C5—C41.0 (4)O4—C19—C20—C21−177.2 (3)
Cd1—N1—C5—C4177.7 (2)O3—C19—C20—C217.3 (4)
C1—N1—C5—C6−179.3 (2)C25—C20—C21—C224.4 (4)
Cd1—N1—C5—C6−2.5 (3)C19—C20—C21—C22−172.8 (2)
C3—C4—C5—N1−1.2 (5)C20—C21—C22—C23−0.8 (4)
C3—C4—C5—C6179.1 (3)C21—C22—C23—C24−3.3 (4)
C10—N2—C6—C70.1 (4)C21—C22—C23—C26175.4 (3)
Cd1—N2—C6—C7171.6 (2)C22—C23—C24—C253.9 (4)
C10—N2—C6—C5−179.3 (2)C26—C23—C24—C25−174.9 (3)
Cd1—N2—C6—C5−7.8 (3)C23—C24—C25—C20−0.4 (4)
N1—C5—C6—N26.9 (3)C21—C20—C25—C24−3.8 (4)
C4—C5—C6—N2−173.3 (3)C19—C20—C25—C24173.5 (3)
N1—C5—C6—C7−172.5 (3)C24—C23—C26—C26ii169.8 (4)
C4—C5—C6—C77.3 (4)C22—C23—C26—C26ii−8.9 (5)

Symmetry codes: (i) −x−1, −y+2, −z+1; (ii) −x+1, −y+1, −z.

Hydrogen-bond geometry (Å, °)

D—H···AD—HH···AD···AD—H···A
O1W—H1W1···O2iii0.850 (10)1.918 (18)2.697 (3)152 (3)
O1W—H1W2···O4iii0.85 (4)1.81 (4)2.639 (3)167 (3)

Symmetry codes: (iii) −x, −y+1, −z+1.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BH2152).

References

  • Brandenburg, K. (1998). DIAMOND Version 2.0. University of Bonn, Germany.
  • Higashi, T. (1995). ABSCOR Rigaku Corporation, Tokyo, Japan.
  • Rigaku (1998). RAPID-AUTO Rigaku Corporation, Tokyo, Japan.
  • Sheldrick, G. M. (1997). SHELXS97 and SHELXL97 University of Göttingen, Germany.
  • Wang, H.-Y., Gao, S., Huo, L.-H. & Zhao, J.-G. (2006). Acta Cryst. E62, m3395–m3397.

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