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In the title compound, {[Cu(1,4-chdc)(L)2]·H2O}n, where 1,4-chdc is the 1,4-cyclo­hexa­nedicarboxyl­ate dianion, C8H10O42−, and L is 2-methyl-1H-imidazole, C4H6N2, each CuII atom is four-coordinated by two N atoms from two L ligands and two O atoms from two 1,4-chdc anions in a distorted tetra­hedral geometry. Each 1,4-chdc ligand bridges two neighbouring CuII atoms in a bidentate mode, forming a unique helical chain. These chains are decorated with L ligands alternately on the two sides. O—H...O and N—H...O hydrogen bonds complete the structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807023628/bg2052sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807023628/bg2052Isup2.hkl
Contains datablock I

CCDC reference: 651362

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.024
  • wR factor = 0.059
  • Data-to-parameter ratio = 15.7

checkCIF/PLATON results

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Alert level C PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.46 From the CIF: _reflns_number_total 3853 Count of symmetry unique reflns 2198 Completeness (_total/calc) 175.30% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1655 Fraction of Friedel pairs measured 0.753 Are heavy atom types Z>Si present yes PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K PLAT794_ALERT_5_G Check Predicted Bond Valency for Cu1 (2) 2.35 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 5
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 5 ALERT level G = General alerts; check 2 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 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Comment top

Rigid spacer ligands such as benzenedi- and tri-carboxylates have successfully produced various extended structures with metal cations (Li et al., 2002). However, the studies on the structures composed of flexible carboxylate ligands still remains undeveloped probably because the low symmetry and the flexibility of the ligand make it difficult to control the final structure. We selected 1,4-cyclohexanedicarboxylic acid (1,4-chdcH2) as a bridging ligand and 2-methyl-1H-imidazole (L) as a secondary ligand, generating a new helical chain coordination polymer, [Cu(1,4-chdc)(L)2].H2O, (I), which is reported here.

Selected bond lengths and angles for (I) are given in Table 1. In compound (I), each Cu(II) atom is four-coordinated by two N atoms from two L ligands, and two O atoms from two 1,4-chdc molecules in a distorted tetrahedral geometry (Fig. 1). The Cu1—O2 and Cu1—O3i distances are 1.9951 (16) and 1.9627 (14) Å, respectively (Table 1). The Cu1—N1 and Cu1—N3 distances are 1.9692 (17) and 1.9976 (18) Å, respectively (Table 1). Each 1,4-chdc ligand bridges two neighboring Cu(II) atoms in a bidentate mode, forming a unique helical chain (Fig. 2). These chains are decorated with L ligands alternately at two sides. In addition, the O—H···O and N—H···O hydrogen bonds complete structure of (I) (Table 2).

Related literature top

The related compound, [Zn(1,4-chdc)(phen)(H2O)]n (1,4-chdc = 1,4-cyclohexanedicarboxylate and phen = 1,10-phenanthroline), also has a chain structure. The central ZnII cation is coordinated by four water and carboxylate O atoms and two N atoms from the phen ligand. Each 1,4-chdc ligand links two ZnII cations in chelating and monodentate modes, forming an infinite helical chain-like structure with 21 helices (Bi et al., 2004).

For related literature, see: Li et al. (2002).

Experimental top

A mixture of CuCl2.2H2O (0.5 mmol), 1,4-chdc acid (0.5 mmol), and L (0.5 mmol) was adjusted to pH=6 by addition of aqueous NaOH solution. The resulting solution was filtered, the filtrate was allowed to stand in air at room temperature for two weeks, and the blue crystals of (I) were obtained (yield 31% based on Cu).

Refinement top

All H atoms were positioned geometrically (N—H = 0.86 Å and C—H = 0.93–0.98 Å) and refined as riding, with Uiso(H)=1.2Ueq(carrier). The water H-atoms were located in a difference Fourier map, and were refined with distance restraints of O–H = 0.85 Å; their temperature factors were tied to those of parent atoms by a factor of 1.2.

Structure description top

Rigid spacer ligands such as benzenedi- and tri-carboxylates have successfully produced various extended structures with metal cations (Li et al., 2002). However, the studies on the structures composed of flexible carboxylate ligands still remains undeveloped probably because the low symmetry and the flexibility of the ligand make it difficult to control the final structure. We selected 1,4-cyclohexanedicarboxylic acid (1,4-chdcH2) as a bridging ligand and 2-methyl-1H-imidazole (L) as a secondary ligand, generating a new helical chain coordination polymer, [Cu(1,4-chdc)(L)2].H2O, (I), which is reported here.

Selected bond lengths and angles for (I) are given in Table 1. In compound (I), each Cu(II) atom is four-coordinated by two N atoms from two L ligands, and two O atoms from two 1,4-chdc molecules in a distorted tetrahedral geometry (Fig. 1). The Cu1—O2 and Cu1—O3i distances are 1.9951 (16) and 1.9627 (14) Å, respectively (Table 1). The Cu1—N1 and Cu1—N3 distances are 1.9692 (17) and 1.9976 (18) Å, respectively (Table 1). Each 1,4-chdc ligand bridges two neighboring Cu(II) atoms in a bidentate mode, forming a unique helical chain (Fig. 2). These chains are decorated with L ligands alternately at two sides. In addition, the O—H···O and N—H···O hydrogen bonds complete structure of (I) (Table 2).

The related compound, [Zn(1,4-chdc)(phen)(H2O)]n (1,4-chdc = 1,4-cyclohexanedicarboxylate and phen = 1,10-phenanthroline), also has a chain structure. The central ZnII cation is coordinated by four water and carboxylate O atoms and two N atoms from the phen ligand. Each 1,4-chdc ligand links two ZnII cations in chelating and monodentate modes, forming an infinite helical chain-like structure with 21 helices (Bi et al., 2004).

For related literature, see: Li et al. (2002).

Computing details top

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO; data reduction: PROCESS-AUTO; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-Plus (Sheldrick, 1990); software used to prepare material for publication: SHELXL97.

Figures top
[Figure 1] Fig. 1. The structure of (I), showing the atomic numbering scheme. Displacement ellipsoids are drawn at the 30% probability level. Symmetry code: (i) x - 1/2, y + 1/2, z.
[Figure 2] Fig. 2. View of the chain structure in (I).
catena-Poly[[[bis(2-methyl-1H-imidazole)copper(II)] -µ-1,4-cyclohexanedicarboxylato-κ2O,O'] monohydrate] top
Crystal data top
[Cu(C8H10O4)(C4H6N2)2]·H2OF(000) = 868
Mr = 415.93Dx = 1.439 Mg m3
Monoclinic, CcMo Kα radiation, λ = 0.71073 Å
Hall symbol: C -2ycCell parameters from 8581 reflections
a = 13.179 (3) Åθ = 3.2–27.5°
b = 11.897 (2) ŵ = 1.17 mm1
c = 12.314 (3) ÅT = 293 K
β = 96.03 (3)°Block, blue
V = 1920.1 (7) Å30.28 × 0.27 × 0.24 mm
Z = 4
Data collection top
Rigaku R-AXIS RAPID
diffractometer
3853 independent reflections
Radiation source: rotating anode3592 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.019
Detector resolution: 10.0 pixels mm-1θmax = 27.5°, θmin = 3.1°
ω scanh = 1717
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1515
Tmin = 0.713, Tmax = 0.758l = 1515
9070 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.024H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.059 w = 1/[σ2(Fo2) + (0.0309P)2 + 0.0676P]
where P = (Fo2 + 2Fc2)/3
S = 1.09(Δ/σ)max < 0.001
3853 reflectionsΔρmax = 0.22 e Å3
245 parametersΔρmin = 0.21 e Å3
5 restraintsAbsolute structure: Flack (1983), 1655 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.011 (10)
Crystal data top
[Cu(C8H10O4)(C4H6N2)2]·H2OV = 1920.1 (7) Å3
Mr = 415.93Z = 4
Monoclinic, CcMo Kα radiation
a = 13.179 (3) ŵ = 1.17 mm1
b = 11.897 (2) ÅT = 293 K
c = 12.314 (3) Å0.28 × 0.27 × 0.24 mm
β = 96.03 (3)°
Data collection top
Rigaku R-AXIS RAPID
diffractometer
3853 independent reflections
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
3592 reflections with I > 2σ(I)
Tmin = 0.713, Tmax = 0.758Rint = 0.019
9070 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.024H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.059Δρmax = 0.22 e Å3
S = 1.09Δρmin = 0.21 e Å3
3853 reflectionsAbsolute structure: Flack (1983), 1655 Friedel pairs
245 parametersAbsolute structure parameter: 0.011 (10)
5 restraints
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
C10.19772 (16)0.23174 (15)0.28646 (19)0.0282 (4)
C20.30024 (17)0.25386 (14)0.2433 (2)0.0329 (5)
H2A0.29420.32610.20500.039*
C30.38580 (18)0.26687 (17)0.3369 (2)0.0396 (5)
H3A0.36370.31820.39090.047*
H3B0.44530.29930.30860.047*
C40.41519 (17)0.15402 (17)0.39159 (18)0.0373 (5)
H4A0.47150.16510.44790.045*
H4B0.35780.12470.42600.045*
C50.44610 (15)0.06954 (15)0.30770 (16)0.0278 (4)
H50.50510.10110.27620.033*
C60.36148 (17)0.05469 (16)0.21444 (17)0.0326 (4)
H6A0.30290.01970.24220.039*
H6B0.38500.00520.15980.039*
C70.32944 (18)0.16732 (18)0.16160 (17)0.0370 (5)
H7A0.38530.19660.12460.044*
H7B0.27180.15520.10710.044*
C80.47826 (14)0.04401 (15)0.35574 (16)0.0281 (4)
C90.10618 (19)0.22595 (19)0.6122 (2)0.0377 (5)
H90.10560.30370.62010.045*
C100.1344 (2)0.1525 (2)0.69177 (18)0.0445 (6)
H100.15690.16910.76410.053*
C110.09062 (17)0.06032 (17)0.54026 (17)0.0346 (4)
C120.0745 (3)0.0340 (2)0.4619 (2)0.0602 (8)
H12A0.05860.10100.50020.090*
H12B0.13540.04580.42700.090*
H12C0.01900.01620.40780.090*
C130.15859 (19)0.1245 (2)0.43684 (19)0.0414 (5)
H130.14260.13380.51170.050*
C140.23970 (19)0.0679 (2)0.3894 (2)0.0466 (6)
H140.28960.03170.42460.056*
C150.15176 (16)0.13368 (17)0.26216 (17)0.0337 (4)
C160.1217 (2)0.1605 (3)0.15148 (18)0.0561 (7)
H16A0.16820.12480.09690.084*
H16B0.05380.13360.14590.084*
H16C0.12380.24040.14050.084*
N10.07791 (14)0.16816 (14)0.51644 (14)0.0318 (4)
N20.12344 (16)0.04764 (15)0.64560 (15)0.0392 (4)
H20.13560.01530.67880.047*
N30.10236 (13)0.16677 (14)0.35673 (14)0.0316 (4)
N40.23445 (14)0.07396 (16)0.28022 (16)0.0395 (4)
H40.27720.04440.23080.047*
O10.13847 (12)0.15720 (12)0.24666 (14)0.0410 (4)
O20.17380 (11)0.29511 (12)0.36217 (13)0.0352 (3)
O1W0.61751 (13)0.03906 (15)0.63232 (14)0.0424 (4)
O30.48379 (11)0.12457 (11)0.28814 (11)0.0329 (3)
O40.49861 (13)0.05853 (13)0.45594 (12)0.0434 (4)
Cu10.03143 (3)0.246810 (16)0.37949 (3)0.02601 (6)
HW110.5812 (18)0.015 (2)0.5807 (15)0.034 (6)*
HW120.5816 (18)0.0736 (19)0.6717 (17)0.038 (7)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0256 (10)0.0215 (8)0.0373 (11)0.0054 (7)0.0011 (8)0.0044 (8)
C20.0296 (11)0.0242 (9)0.0456 (12)0.0057 (7)0.0081 (9)0.0061 (8)
C30.0290 (11)0.0260 (9)0.0640 (16)0.0004 (8)0.0063 (10)0.0086 (10)
C40.0340 (12)0.0330 (10)0.0428 (12)0.0073 (8)0.0061 (9)0.0122 (9)
C50.0235 (10)0.0260 (8)0.0335 (10)0.0018 (7)0.0009 (8)0.0001 (8)
C60.0350 (11)0.0295 (9)0.0321 (10)0.0095 (8)0.0021 (8)0.0033 (8)
C70.0375 (12)0.0393 (11)0.0344 (10)0.0117 (9)0.0052 (9)0.0064 (9)
C80.0213 (10)0.0298 (9)0.0323 (10)0.0017 (7)0.0013 (8)0.0020 (8)
C90.0404 (13)0.0341 (9)0.0370 (12)0.0006 (9)0.0032 (9)0.0015 (9)
C100.0533 (15)0.0444 (12)0.0335 (11)0.0018 (10)0.0062 (10)0.0007 (10)
C110.0345 (12)0.0303 (10)0.0377 (11)0.0027 (8)0.0016 (9)0.0052 (9)
C120.087 (2)0.0346 (12)0.0555 (16)0.0004 (13)0.0105 (15)0.0039 (12)
C130.0446 (14)0.0477 (12)0.0329 (10)0.0109 (10)0.0085 (9)0.0005 (10)
C140.0381 (13)0.0501 (13)0.0522 (14)0.0147 (10)0.0077 (11)0.0042 (12)
C150.0295 (11)0.0382 (10)0.0323 (10)0.0006 (8)0.0028 (8)0.0032 (9)
C160.0512 (16)0.086 (2)0.0310 (11)0.0052 (14)0.0015 (11)0.0031 (13)
N10.0335 (9)0.0281 (8)0.0325 (8)0.0024 (7)0.0029 (7)0.0039 (7)
N20.0431 (11)0.0339 (9)0.0389 (10)0.0014 (8)0.0041 (8)0.0122 (8)
N30.0285 (9)0.0347 (8)0.0311 (9)0.0054 (7)0.0004 (7)0.0009 (7)
N40.0316 (10)0.0413 (9)0.0435 (10)0.0056 (7)0.0062 (8)0.0044 (9)
O10.0329 (8)0.0346 (7)0.0563 (10)0.0038 (6)0.0080 (7)0.0166 (7)
O20.0315 (8)0.0306 (7)0.0444 (9)0.0022 (6)0.0088 (6)0.0087 (7)
O1W0.0373 (9)0.0517 (9)0.0370 (9)0.0068 (8)0.0016 (7)0.0061 (8)
O30.0413 (9)0.0244 (6)0.0320 (7)0.0060 (6)0.0015 (6)0.0018 (6)
O40.0574 (11)0.0431 (8)0.0283 (7)0.0119 (7)0.0022 (7)0.0007 (7)
Cu10.02640 (10)0.02329 (9)0.02761 (10)0.00107 (9)0.00064 (7)0.00362 (9)
Geometric parameters (Å, º) top
C1—O11.247 (2)C10—H100.9300
C1—O21.264 (3)C11—N11.323 (3)
C1—C21.526 (3)C11—N21.332 (3)
C2—C71.517 (3)C11—C121.480 (3)
C2—C31.533 (4)C12—H12A0.9600
C2—H2A0.9800C12—H12B0.9600
C3—C41.534 (3)C12—H12C0.9600
C3—H3A0.9700C13—C141.344 (3)
C3—H3B0.9700C13—N31.389 (3)
C4—C51.527 (3)C13—H130.9300
C4—H4A0.9700C14—N41.356 (3)
C4—H4B0.9700C14—H140.9300
C5—C81.517 (3)C15—N31.333 (3)
C5—C61.525 (3)C15—N41.339 (3)
C5—H50.9800C15—C161.493 (3)
C6—C71.530 (3)C16—H16A0.9600
C6—H6A0.9700C16—H16B0.9600
C6—H6B0.9700C16—H16C0.9600
C7—H7A0.9700Cu1—N11.9692 (17)
C7—H7B0.9700N2—H20.8600
C8—O41.247 (2)Cu1—N31.9976 (18)
C8—O31.277 (2)N4—H40.8600
C9—C101.336 (3)Cu1—O21.9951 (16)
C9—N11.382 (3)O1W—HW110.807 (16)
C9—H90.9300O1W—HW120.822 (16)
C10—N21.372 (3)Cu1—O3i1.9627 (14)
O1—C1—O2121.3 (2)N2—C10—H10126.8
O1—C1—C2121.78 (19)N1—C11—N2110.27 (19)
O2—C1—C2116.89 (18)N1—C11—C12125.7 (2)
C7—C2—C1114.17 (18)N2—C11—C12124.0 (2)
C7—C2—C3110.44 (18)C11—C12—H12A109.5
C1—C2—C3111.4 (2)C11—C12—H12B109.5
C7—C2—H2A106.8H12A—C12—H12B109.5
C1—C2—H2A106.8C11—C12—H12C109.5
C3—C2—H2A106.8H12A—C12—H12C109.5
C2—C3—C4111.95 (17)H12B—C12—H12C109.5
C2—C3—H3A109.2C14—C13—N3109.4 (2)
C4—C3—H3A109.2C14—C13—H13125.3
C2—C3—H3B109.2N3—C13—H13125.3
C4—C3—H3B109.2C13—C14—N4106.5 (2)
H3A—C3—H3B107.9C13—C14—H14126.8
C5—C4—C3110.6 (2)N4—C14—H14126.8
C5—C4—H4A109.5N3—C15—N4110.06 (19)
C3—C4—H4A109.5N3—C15—C16125.6 (2)
C5—C4—H4B109.5N4—C15—C16124.31 (19)
C3—C4—H4B109.5C15—C16—H16A109.5
H4A—C4—H4B108.1C15—C16—H16B109.5
C8—C5—C6110.05 (15)H16A—C16—H16B109.5
C8—C5—C4113.94 (17)C15—C16—H16C109.5
C6—C5—C4111.09 (16)H16A—C16—H16C109.5
C8—C5—H5107.1H16B—C16—H16C109.5
C6—C5—H5107.1C11—N1—C9106.06 (17)
C4—C5—H5107.1C11—N1—Cu1132.18 (14)
C5—C6—C7111.49 (17)C9—N1—Cu1121.75 (14)
C5—C6—H6A109.3C11—N2—C10108.04 (18)
C7—C6—H6A109.3C11—N2—H2126.0
C5—C6—H6B109.3C10—N2—H2126.0
C7—C6—H6B109.3C15—N3—C13105.40 (18)
H6A—C6—H6B108.0C15—N3—Cu1127.33 (15)
C2—C7—C6112.96 (17)C13—N3—Cu1127.01 (14)
C2—C7—H7A109.0C15—N4—C14108.68 (18)
C6—C7—H7A109.0C15—N4—H4125.7
C2—C7—H7B109.0C14—N4—H4125.7
C6—C7—H7B109.0C1—O2—Cu1102.54 (13)
H7A—C7—H7B107.8HW11—O1W—HW12108 (2)
O4—C8—O3121.34 (17)C8—O3—Cu1ii104.38 (12)
O4—C8—C5122.11 (17)O3i—Cu1—N1155.96 (6)
O3—C8—C5116.55 (16)O3i—Cu1—O287.82 (7)
C10—C9—N1109.24 (19)N1—Cu1—O290.97 (8)
C10—C9—H9125.4O3i—Cu1—N393.83 (7)
N1—C9—H9125.4N1—Cu1—N394.84 (7)
C9—C10—N2106.37 (19)O2—Cu1—N3161.53 (7)
C9—C10—H10126.8
Symmetry codes: (i) x1/2, y+1/2, z; (ii) x+1/2, y1/2, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—HW11···O40.81 (2)1.99 (2)2.794 (2)174 (2)
O1W—HW12···O3iii0.82 (2)2.12 (2)2.921 (2)167 (2)
N2—H2···O1iii0.861.882.734 (2)170
N4—H4···O1Wiv0.862.012.861 (2)172
Symmetry codes: (iii) x, y, z+1/2; (iv) x1, y, z1/2.

Experimental details

Crystal data
Chemical formula[Cu(C8H10O4)(C4H6N2)2]·H2O
Mr415.93
Crystal system, space groupMonoclinic, Cc
Temperature (K)293
a, b, c (Å)13.179 (3), 11.897 (2), 12.314 (3)
β (°) 96.03 (3)
V3)1920.1 (7)
Z4
Radiation typeMo Kα
µ (mm1)1.17
Crystal size (mm)0.28 × 0.27 × 0.24
Data collection
DiffractometerRigaku R-AXIS RAPID
Absorption correctionMulti-scan
(ABSCOR; Higashi, 1995)
Tmin, Tmax0.713, 0.758
No. of measured, independent and
observed [I > 2σ(I)] reflections
9070, 3853, 3592
Rint0.019
(sin θ/λ)max1)0.649
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.024, 0.059, 1.09
No. of reflections3853
No. of parameters245
No. of restraints5
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å3)0.22, 0.21
Absolute structureFlack (1983), 1655 Friedel pairs
Absolute structure parameter0.011 (10)

Computer programs: PROCESS-AUTO (Rigaku, 1998), PROCESS-AUTO, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL-Plus (Sheldrick, 1990), SHELXL97.

Selected geometric parameters (Å, º) top
Cu1—N11.9692 (17)Cu1—O21.9951 (16)
Cu1—N31.9976 (18)Cu1—O3i1.9627 (14)
O3i—Cu1—N1155.96 (6)O3i—Cu1—N393.83 (7)
O3i—Cu1—O287.82 (7)N1—Cu1—N394.84 (7)
N1—Cu1—O290.97 (8)O2—Cu1—N3161.53 (7)
Symmetry code: (i) x1/2, y+1/2, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—HW11···O40.807 (16)1.989 (16)2.794 (2)174 (2)
O1W—HW12···O3ii0.822 (16)2.115 (17)2.921 (2)167 (2)
N2—H2···O1ii0.861.882.734 (2)170.3
N4—H4···O1Wiii0.862.012.861 (2)171.8
Symmetry codes: (ii) x, y, z+1/2; (iii) x1, y, z1/2.
 

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