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The title compound, [Cu(C19H20N2O4)], is a mononuclear copper(II) Schiff base complex. The CuII ion is surrounded by two imine N and two phenolate O atoms of the tetra­dentate ligand in a square-planar coordination with a slight tetra­hedral distortion. The dihedral angle between the CuN2 and CuO2 planes is 25.07 (9)°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807030723/wm2129sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807030723/wm2129Isup2.hkl
Contains datablock I

CCDC reference: 654824

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.023
  • wR factor = 0.063
  • Data-to-parameter ratio = 17.5

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.99
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 28.33 From the CIF: _reflns_number_total 4157 Count of symmetry unique reflns 2303 Completeness (_total/calc) 180.50% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1854 Fraction of Friedel pairs measured 0.805 Are heavy atom types Z>Si present yes PLAT794_ALERT_5_G Check Predicted Bond Valency for Cu (2) 2.22 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 3 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 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Comment top

Metal derivatives of Schiff bases have been studied extensively, and CuII and NiII complexes play a major role in both synthetic and structural research. The coordination of the metal cations is usually planar in the case of Ni, but for Cu a tetrahedral distortion is often observed (Garnovskii et al., 1993). We report here the results of the reaction of CuII with the tetradentate ligand N,N'-bis(6-methoxysalicylidene)-1,3-diaminopropane in a 1:1 molar ratio, forming the title compound, (I).

A view of the molecular structure of (I) is shown in Fig. 1. The crystal structure of the ligand (but without methoxy substituents) is known for a long time (Elerman et al., 1991), as are about 150 of its metal complexes (found in a search of the Cambridge Structural Database [version 5.28] plus two updates until May 2007; Allen, 2002). Structures of the CuII complex which are comparable with the title compound have been reported several times, the most recent given by Nathan et al. (2003). The title complex, however, is the first reported example of a Schiff base, as a ligand or uncomplexed, in which substituents in the 6 position of the benzene rings are present.

The CuII coordination polyhedron is approximately square planar, with a significant distortion towards tetrahedral, as indicated by the dihedral angle of 25.07 (9)° between the CuO2 and CuN2 planes. This, and the Cu—O and Cu—N distances (see Table), are similar to those observed in other CuII complexes of related Schiff bases.

Related literature top

A review on ligand environments and structures of Schiff base adducts and tetracoordinated metal chelates has been given by Garnovskii et al. (1993). The Cambridge Structural Database (Version 5.28, plus two updates until May 2007; Allen, 2002) was used as a source for searching for related structures. For comparable Schiff base complexes, see: Elerman et al. (1991); Nathan et al. (2003).

Experimental top

A mixture of 6-methoxysalicylaldehyde (2.0 mmol, 304 mg) and 1,3-diaminopropane (1.0 mmol, 74 mg) was dissolved in methanol (10 ml) with stirring for 30 min at room temperature, to give a clear yellow solution. A methanol solution (10 ml) of Cu(CH3COO)2.2H2O (1.0 mmol, 218 mg) was then added. The mixture was stirred for further 30 min and then filtered. After keeping the filtrate in air for 7 d, blue block-shaped crystals were formed at the bottom of the vessel on slow evaporation of the solvent, in about 65% yield.

Refinement top

All H atoms were placed in geometrically idealized positions and allowed to ride on their parent atoms, with C—H distances in the range 0.93–0.97 Å and with Uiso(H) = 1.2 or 1.5 times Ueq(C).

Structure description top

Metal derivatives of Schiff bases have been studied extensively, and CuII and NiII complexes play a major role in both synthetic and structural research. The coordination of the metal cations is usually planar in the case of Ni, but for Cu a tetrahedral distortion is often observed (Garnovskii et al., 1993). We report here the results of the reaction of CuII with the tetradentate ligand N,N'-bis(6-methoxysalicylidene)-1,3-diaminopropane in a 1:1 molar ratio, forming the title compound, (I).

A view of the molecular structure of (I) is shown in Fig. 1. The crystal structure of the ligand (but without methoxy substituents) is known for a long time (Elerman et al., 1991), as are about 150 of its metal complexes (found in a search of the Cambridge Structural Database [version 5.28] plus two updates until May 2007; Allen, 2002). Structures of the CuII complex which are comparable with the title compound have been reported several times, the most recent given by Nathan et al. (2003). The title complex, however, is the first reported example of a Schiff base, as a ligand or uncomplexed, in which substituents in the 6 position of the benzene rings are present.

The CuII coordination polyhedron is approximately square planar, with a significant distortion towards tetrahedral, as indicated by the dihedral angle of 25.07 (9)° between the CuO2 and CuN2 planes. This, and the Cu—O and Cu—N distances (see Table), are similar to those observed in other CuII complexes of related Schiff bases.

A review on ligand environments and structures of Schiff base adducts and tetracoordinated metal chelates has been given by Garnovskii et al. (1993). The Cambridge Structural Database (Version 5.28, plus two updates until May 2007; Allen, 2002) was used as a source for searching for related structures. For comparable Schiff base complexes, see: Elerman et al. (1991); Nathan et al. (2003).

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2005b); program(s) used to refine structure: SHELXTL; molecular graphics: DIAMOND (Brandenburg, 2007); software used to prepare material for publication: SHELXTL and local programs.

Figures top
[Figure 1] Fig. 1. The molecular structure with atom labels, drawn with ellipsoids at the 50% probability level for all non-H atoms. H atoms are given as spheres of arbitrary radius.
{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}copper(II) top
Crystal data top
[Cu(C19H20N2O4)]F(000) = 836
Mr = 403.91Dx = 1.542 Mg m3
Orthorhombic, Pca21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2acCell parameters from 9351 reflections
a = 13.7911 (14) Åθ = 2.2–28.3°
b = 12.7032 (13) ŵ = 1.28 mm1
c = 9.9329 (10) ÅT = 150 K
V = 1740.2 (3) Å3Block, blue
Z = 40.30 × 0.30 × 0.20 mm
Data collection top
Bruker SMART 1K CCD
diffractometer
4157 independent reflections
Radiation source: fine-focus sealed tube3766 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.028
ω scansθmax = 28.3°, θmin = 2.2°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2005a)
h = 1717
Tmin = 0.700, Tmax = 0.785k = 1616
14731 measured reflectionsl = 1313
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-atom parameters constrained
wR(F2) = 0.063 w = 1/[σ2(Fo2) + (0.0332P)2 + 0.2389P]
where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max = 0.001
4157 reflectionsΔρmax = 0.33 e Å3
237 parametersΔρmin = 0.44 e Å3
1 restraintAbsolute structure: Flack (1983), 1916 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.013 (12)
Crystal data top
[Cu(C19H20N2O4)]V = 1740.2 (3) Å3
Mr = 403.91Z = 4
Orthorhombic, Pca21Mo Kα radiation
a = 13.7911 (14) ŵ = 1.28 mm1
b = 12.7032 (13) ÅT = 150 K
c = 9.9329 (10) Å0.30 × 0.30 × 0.20 mm
Data collection top
Bruker SMART 1K CCD
diffractometer
4157 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 2005a)
3766 reflections with I > 2σ(I)
Tmin = 0.700, Tmax = 0.785Rint = 0.028
14731 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.024H-atom parameters constrained
wR(F2) = 0.063Δρmax = 0.33 e Å3
S = 1.04Δρmin = 0.44 e Å3
4157 reflectionsAbsolute structure: Flack (1983), 1916 Friedel pairs
237 parametersAbsolute structure parameter: 0.013 (12)
1 restraint
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu0.174992 (13)0.252482 (15)0.36441 (5)0.01625 (6)
N10.23946 (12)0.12304 (12)0.42218 (15)0.0194 (3)
N20.28978 (10)0.32088 (11)0.28765 (16)0.0171 (3)
O10.13783 (12)0.12408 (11)0.62238 (16)0.0321 (3)
O20.06371 (10)0.22063 (11)0.47204 (15)0.0239 (3)
O30.08904 (9)0.34212 (10)0.26854 (13)0.0210 (3)
O40.30881 (10)0.53932 (12)0.00073 (16)0.0298 (3)
C10.1202 (2)0.20841 (18)0.7155 (3)0.0402 (6)
H1A0.17230.26050.70850.060*
H1B0.05800.24190.69420.060*
H1C0.11810.18030.80740.060*
C20.07334 (16)0.04266 (15)0.6220 (2)0.0244 (4)
C30.01325 (16)0.04319 (16)0.6918 (2)0.0284 (5)
H3A0.03210.10250.74380.034*
C40.07236 (16)0.04570 (17)0.6838 (2)0.0292 (4)
H4A0.13190.04600.73200.035*
C50.04815 (15)0.13287 (16)0.6092 (2)0.0258 (4)
H5A0.09130.19110.60520.031*
C60.04105 (14)0.13626 (15)0.53826 (18)0.0208 (4)
C70.10334 (15)0.04696 (15)0.54488 (19)0.0205 (4)
C80.19971 (14)0.04821 (15)0.49065 (19)0.0210 (4)
H8A0.23840.01240.50680.025*
C90.34254 (14)0.11051 (14)0.38763 (19)0.0221 (4)
H9A0.34950.10060.28920.027*
H9B0.36910.04750.43320.027*
C100.39877 (15)0.20812 (16)0.4319 (2)0.0227 (4)
H10A0.37360.23230.51990.027*
H10B0.46790.18930.44390.027*
C110.39108 (13)0.29754 (15)0.33088 (19)0.0207 (4)
H11A0.41940.36180.37120.025*
H11B0.43000.27950.25040.025*
C120.28636 (14)0.39154 (14)0.19369 (18)0.0182 (4)
H12A0.34710.41450.15950.022*
C130.20214 (13)0.43938 (14)0.13492 (18)0.0178 (4)
C140.21461 (13)0.51992 (15)0.03636 (19)0.0204 (4)
C150.13649 (14)0.57306 (15)0.0176 (2)0.0226 (4)
H15A0.14560.62630.08350.027*
C160.04276 (14)0.54632 (15)0.0277 (2)0.0241 (4)
H16A0.01160.58240.00870.029*
C170.02793 (14)0.46998 (15)0.1223 (2)0.0226 (4)
H17A0.03630.45410.15030.027*
C180.10671 (13)0.41422 (14)0.17916 (19)0.0184 (4)
C190.32782 (15)0.62249 (17)0.0922 (2)0.0295 (5)
H19A0.39790.62840.10680.044*
H19B0.30300.68890.05560.044*
H19C0.29560.60730.17800.044*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu0.01746 (10)0.01431 (10)0.01697 (10)0.00117 (8)0.00155 (11)0.00191 (8)
N10.0246 (8)0.0166 (7)0.0170 (7)0.0037 (6)0.0008 (6)0.0003 (6)
N20.0165 (7)0.0159 (7)0.0191 (8)0.0017 (6)0.0019 (6)0.0002 (6)
O10.0434 (9)0.0202 (7)0.0328 (8)0.0012 (6)0.0019 (7)0.0100 (6)
O20.0252 (7)0.0188 (6)0.0278 (7)0.0011 (6)0.0083 (6)0.0043 (6)
O30.0168 (6)0.0202 (6)0.0258 (7)0.0017 (5)0.0021 (5)0.0066 (6)
O40.0179 (6)0.0328 (8)0.0388 (9)0.0034 (6)0.0008 (6)0.0191 (7)
C10.0548 (16)0.0247 (11)0.0412 (14)0.0029 (11)0.0002 (11)0.0160 (10)
C20.0350 (11)0.0190 (9)0.0193 (9)0.0079 (8)0.0060 (8)0.0005 (8)
C30.0362 (11)0.0273 (10)0.0217 (10)0.0148 (9)0.0026 (8)0.0045 (8)
C40.0291 (11)0.0356 (11)0.0230 (10)0.0119 (9)0.0008 (8)0.0000 (9)
C50.0261 (10)0.0278 (10)0.0235 (10)0.0024 (8)0.0026 (8)0.0014 (8)
C60.0275 (10)0.0203 (9)0.0147 (8)0.0035 (7)0.0006 (7)0.0008 (7)
C70.0296 (10)0.0168 (9)0.0151 (9)0.0037 (7)0.0018 (7)0.0002 (7)
C80.0306 (10)0.0152 (9)0.0173 (9)0.0007 (7)0.0023 (7)0.0020 (7)
C90.0247 (9)0.0191 (8)0.0224 (11)0.0057 (7)0.0033 (7)0.0010 (7)
C100.0216 (9)0.0236 (9)0.0230 (10)0.0053 (8)0.0035 (8)0.0038 (8)
C110.0149 (9)0.0222 (9)0.0250 (11)0.0016 (7)0.0033 (7)0.0028 (7)
C120.0160 (8)0.0181 (8)0.0203 (9)0.0007 (7)0.0001 (6)0.0002 (7)
C130.0177 (8)0.0160 (8)0.0196 (9)0.0005 (7)0.0016 (7)0.0023 (7)
C140.0174 (8)0.0202 (9)0.0236 (9)0.0020 (7)0.0003 (7)0.0031 (7)
C150.0244 (9)0.0183 (9)0.0252 (9)0.0015 (7)0.0011 (8)0.0062 (8)
C160.0215 (9)0.0206 (10)0.0301 (10)0.0053 (7)0.0043 (8)0.0038 (8)
C170.0162 (9)0.0221 (9)0.0295 (10)0.0018 (7)0.0019 (7)0.0029 (8)
C180.0193 (9)0.0160 (8)0.0198 (9)0.0005 (7)0.0017 (7)0.0013 (7)
C190.0267 (10)0.0298 (11)0.0321 (11)0.0056 (8)0.0026 (8)0.0125 (9)
Geometric parameters (Å, º) top
Cu—N11.9554 (15)C6—C71.425 (3)
Cu—N21.9602 (15)C7—C81.434 (3)
Cu—O21.9136 (14)C8—H8A0.950
Cu—O31.8996 (13)C9—H9A0.990
N1—C81.291 (2)C9—H9B0.990
N1—C91.471 (2)C9—C101.527 (3)
N2—C111.491 (2)C10—H10A0.990
N2—C121.296 (2)C10—H10B0.990
O1—C11.436 (3)C10—C111.519 (3)
O1—C21.364 (3)C11—H11A0.990
O2—C61.296 (2)C11—H11B0.990
O3—C181.299 (2)C12—H12A0.950
O4—C141.369 (2)C12—C131.435 (3)
O4—C191.427 (2)C13—C141.426 (2)
C1—H1A0.980C13—C181.424 (3)
C1—H1B0.980C14—C151.380 (3)
C1—H1C0.980C15—H15A0.950
C2—C31.381 (3)C15—C161.410 (3)
C2—C71.433 (3)C16—H16A0.950
C3—H3A0.950C16—C171.366 (3)
C3—C41.395 (3)C17—H17A0.950
C4—H4A0.950C17—C181.415 (3)
C4—C51.373 (3)C19—H19A0.980
C5—H5A0.950C19—H19B0.980
C5—C61.419 (3)C19—H19C0.980
N1—Cu—N296.88 (6)N1—C9—H9B109.7
N1—Cu—O291.31 (6)N1—C9—C10109.62 (15)
N1—Cu—O3159.21 (6)H9A—C9—H9B108.2
N2—Cu—O2163.48 (6)H9A—C9—C10109.7
N2—Cu—O392.48 (6)H9B—C9—C10109.7
O2—Cu—O384.63 (6)C9—C10—H10A109.1
Cu—N1—C8125.50 (14)C9—C10—H10B109.1
Cu—N1—C9117.51 (11)C9—C10—C11112.44 (17)
C8—N1—C9116.98 (16)H10A—C10—H10B107.8
Cu—N2—C11123.81 (12)H10A—C10—C11109.1
Cu—N2—C12123.91 (13)H10B—C10—C11109.1
C11—N2—C12112.28 (15)N2—C11—C10113.84 (16)
C1—O1—C2117.18 (19)N2—C11—H11A108.8
Cu—O2—C6130.69 (13)N2—C11—H11B108.8
Cu—O3—C18130.41 (12)C10—C11—H11A108.8
C14—O4—C19118.35 (15)C10—C11—H11B108.8
O1—C1—H1A109.5H11A—C11—H11B107.7
O1—C1—H1B109.5N2—C12—H12A116.0
O1—C1—H1C109.5N2—C12—C13128.01 (18)
H1A—C1—H1B109.5H12A—C12—C13116.0
H1A—C1—H1C109.5C12—C13—C14119.04 (16)
H1B—C1—H1C109.5C12—C13—C18121.84 (17)
O1—C2—C3123.98 (18)C14—C13—C18118.96 (16)
O1—C2—C7114.55 (19)O4—C14—C13114.90 (16)
C3—C2—C7121.5 (2)O4—C14—C15123.54 (17)
C2—C3—H3A120.9C13—C14—C15121.56 (17)
C2—C3—C4118.23 (19)C14—C15—H15A120.8
H3A—C3—C4120.9C14—C15—C16118.30 (18)
C3—C4—H4A118.6H15A—C15—C16120.8
C3—C4—C5122.8 (2)C15—C16—H16A119.1
H4A—C4—C5118.6C15—C16—C17121.85 (17)
C4—C5—H5A119.9H16A—C16—C17119.1
C4—C5—C6120.22 (19)C16—C17—H17A119.5
H5A—C5—C6119.9C16—C17—C18121.01 (17)
O2—C6—C5119.12 (18)H17A—C17—C18119.5
O2—C6—C7122.45 (17)O3—C18—C13122.87 (16)
C5—C6—C7118.42 (18)O3—C18—C17118.81 (16)
C2—C7—C6118.89 (18)C13—C18—C17118.31 (17)
C2—C7—C8118.50 (18)O4—C19—H19A109.5
C6—C7—C8122.19 (17)O4—C19—H19B109.5
N1—C8—C7126.84 (18)O4—C19—H19C109.5
N1—C8—H8A116.6H19A—C19—H19B109.5
C7—C8—H8A116.6H19A—C19—H19C109.5
N1—C9—H9A109.7H19B—C19—H19C109.5
N2—Cu—N1—C8174.63 (16)C3—C2—C7—C61.4 (3)
N2—Cu—N1—C93.89 (14)C3—C2—C7—C8171.33 (19)
O2—Cu—N1—C89.01 (16)Cu—N1—C8—C74.0 (3)
O2—Cu—N1—C9169.52 (13)C9—N1—C8—C7174.53 (18)
O3—Cu—N1—C869.2 (3)C2—C7—C8—N1178.13 (18)
O3—Cu—N1—C9112.24 (19)C6—C7—C8—N15.7 (3)
N1—Cu—N2—C1125.55 (15)Cu—N1—C9—C1051.28 (18)
N1—Cu—N2—C12154.49 (15)C8—N1—C9—C10127.38 (18)
O2—Cu—N2—C1193.6 (3)N1—C9—C10—C1181.9 (2)
O2—Cu—N2—C1286.3 (3)Cu—N2—C11—C105.3 (2)
O3—Cu—N2—C11173.05 (14)C12—N2—C11—C10174.79 (16)
O3—Cu—N2—C126.91 (15)C9—C10—C11—N249.3 (2)
N1—Cu—O2—C68.50 (17)Cu—N2—C12—C135.1 (3)
N2—Cu—O2—C6128.4 (2)C11—N2—C12—C13174.83 (18)
O3—Cu—O2—C6151.08 (17)N2—C12—C13—C14176.99 (18)
N1—Cu—O3—C18112.2 (2)N2—C12—C13—C181.7 (3)
N2—Cu—O3—C184.62 (16)C19—O4—C14—C13176.82 (17)
O2—Cu—O3—C18168.31 (16)C19—O4—C14—C153.2 (3)
C1—O1—C2—C38.9 (3)C12—C13—C14—O44.0 (3)
C1—O1—C2—C7169.63 (19)C12—C13—C14—C15176.04 (18)
O1—C2—C3—C4179.44 (19)C18—C13—C14—O4179.49 (17)
C7—C2—C3—C41.0 (3)C18—C13—C14—C150.6 (3)
C2—C3—C4—C50.4 (3)O4—C14—C15—C16179.7 (2)
C3—C4—C5—C61.3 (3)C13—C14—C15—C160.3 (3)
Cu—O2—C6—C5179.00 (14)C14—C15—C16—C170.1 (3)
Cu—O2—C6—C72.3 (3)C15—C16—C17—C180.0 (3)
C4—C5—C6—O2177.84 (19)Cu—O3—C18—C130.2 (3)
C4—C5—C6—C70.9 (3)Cu—O3—C18—C17179.72 (13)
O2—C6—C7—C2179.10 (17)C16—C17—C18—O3179.84 (18)
O2—C6—C7—C86.7 (3)C16—C17—C18—C130.3 (3)
C5—C6—C7—C20.4 (3)C12—C13—C18—O34.6 (3)
C5—C6—C7—C8172.05 (18)C12—C13—C18—C17175.85 (18)
O1—C2—C7—C6179.93 (17)C14—C13—C18—O3179.93 (17)
O1—C2—C7—C87.2 (3)C14—C13—C18—C170.5 (3)

Experimental details

Crystal data
Chemical formula[Cu(C19H20N2O4)]
Mr403.91
Crystal system, space groupOrthorhombic, Pca21
Temperature (K)150
a, b, c (Å)13.7911 (14), 12.7032 (13), 9.9329 (10)
V3)1740.2 (3)
Z4
Radiation typeMo Kα
µ (mm1)1.28
Crystal size (mm)0.30 × 0.30 × 0.20
Data collection
DiffractometerBruker SMART 1K CCD
Absorption correctionMulti-scan
(SADABS; Sheldrick, 2005a)
Tmin, Tmax0.700, 0.785
No. of measured, independent and
observed [I > 2σ(I)] reflections
14731, 4157, 3766
Rint0.028
(sin θ/λ)max1)0.668
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.024, 0.063, 1.04
No. of reflections4157
No. of parameters237
No. of restraints1
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.33, 0.44
Absolute structureFlack (1983), 1916 Friedel pairs
Absolute structure parameter0.013 (12)

Computer programs: SMART (Bruker, 2001), SAINT (Bruker, 2001), SAINT, SHELXTL (Sheldrick, 2005b), DIAMOND (Brandenburg, 2007), SHELXTL and local programs.

Selected geometric parameters (Å, º) top
Cu—N11.9554 (15)Cu—O21.9136 (14)
Cu—N21.9602 (15)Cu—O31.8996 (13)
N1—Cu—N296.88 (6)N2—Cu—O2163.48 (6)
N1—Cu—O291.31 (6)N2—Cu—O392.48 (6)
N1—Cu—O3159.21 (6)O2—Cu—O384.63 (6)
 

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