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Acta Cryst. (2007). E63, m2250    [ doi:10.1107/S1600536807036811 ]

{[(5-Bromo-2-oxidophenyl)methyleneamino]methanesulfonato-[kappa]3O,N,O'}(methanol-[kappa]O)(1,10-phenanthroline-[kappa]2N,N')cadmium(II)

J.-S. Xu, C.-H. Zhang, D.-Z. Kuang, Y.-L. Feng and Y.-L. Peng

Abstract top

The title compound, [Cd(C8H6BrNO4S)(C12H8N2)(CH4O)], incorporating a Schiff base formed by aminomethanesulfonic acid and 5-bromosalicylaldehyde, was synthesized in a water-methanol solution. In the structure, the CdII atom is six-coordinated by one O atom from a methanol molecule, two N atoms from a 1,10-phenanthroline ligand, and one N and two O atoms from the Schiff base in a distorted octahedral coordination geometry. A one-dimensional chain structure is formed via C-H...O hydrogen bonds.

Comment top

During the last two decades, the Schiff base complexes containing sulfur and the complexes of amino acid Schiff bases have aroused increasing interest because of their antiviral, anticancer and antibacterial activities (Casella & Gullotti, 1981; Zhang et al., 2005). We have utilized aminomethanesulfonic acid and 5-bromosalicylaldehyde as ligands and investigated their reaction with cadmium acetate. We report here the structure of the title compound.

In the title compound, the CdII atom is six-coordinated by the imine N atom, the phenolate O atom and a sulfonate O atom from the tridentate Schiff base ligand, two N atoms from a phenanthroline ligand and one O atom from a methanol molecule. Thus the CdII atom has a distorted octahedral geometry (Fig. 1). The Cd—O distances are in a range of 1.977 (3)–2.381 (3) Å, and the mean Cd—O bond length is 2.198 (3) Å (Table 1). The Cd—N distances range from 2.084 (3) to 2.135 (3) Å. The Schiff base ligand adopts a κ3O,N,O'-tridentate mode, forming a five-membered ring and a six-membered ring. An O—H···O hydrogen bond between the coordinated O atom of the methanol molecule and an uncoordinated O atom of the sulfonate group and C—H···O hydrogen bonds are observed (Table 2).

Related literature top

For related literature, see: Casella & Gullotti (1981); Zhang et al. (2005).

Experimental top

An aqueous solution (5 ml) of Cd(ClO4)2·6H2O (0.422 g, 1.0 mmol) was added dropwise to a methanol solution (15 ml) of NaOH (0.041 g, 1.0 mmol), 5-bromosalicylaldehyde (0.202 g, 1.0 mmol) and aminomethanesulfonic acid (0.112 g, 1.0 mmol). The reaction mixture was refluxed for 4 h and added a methanol solution containing 1,10-phenanthroline (0.201 g, 1.0 mmol). The reaction mixture was refluxed for 6 h and then filtered. The resulting yellow filtrate was allowed to stand at room temperature for one month to afford yellow block-shaped crystals. Analysis, calculated for C21H18BrCdN3O5S: C 40.86, H 2.92, N 6.81%; found: C 39.96, H 2.84, N 6.87%.

Refinement top

All H atoms were positioned geometrically and refined as riding, with C—H = 0.93(CH), 0.97(CH2), 0.96(CH3) and 0.93 (OH) Å and Uiso(H)=1.5Ueq(C) for CH3 group and Uiso(H)=1.2Ueq(C, O) for the others.

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); 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, 2001); software used to prepare material for publication: SHELXTL.

Figures top
[Figure 1] Fig. 1. The molecular structure of the title compound. Displacement ellipsoids are drawn at the 30% probability level. H atoms have been omitted for clarity.
{[(5-Bromo-2-oxidophenyl)methyleneamino]methanesulfonato- κ3O,N,O'}(methanol-κO)(1,10-phenanthroline-κ2N,N')cadmium(II) top
Crystal data top
[Cd(C8H6BrNO4S)(C12H8N2)(CH4O)]F000 = 1216
Mr = 616.76Dx = 1.913 Mg m−3
Monoclinic, P21/cMo Kα radiation
λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 3340 reflections
a = 18.712 (3) Åθ = 2.2–25.9º
b = 13.801 (1) ŵ = 3.02 mm−1
c = 8.3681 (12) ÅT = 294 (2) K
β = 97.791 (2)ºBlock, yellow
V = 2141.1 (5) Å30.24 × 0.20 × 0.18 mm
Z = 4
Data collection top
Bruker SMART 1000 CCD area-detector
diffractometer		4382 independent reflections
Radiation source: fine-focus sealed tube2754 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.061
T = 294(2) Kθmax = 26.4º
φ and ω scansθmin = 1.8º
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −21→23
Tmin = 0.485, Tmax = 0.585k = −14→17
11883 measured reflectionsl = −10→10
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)] = 0.040H-atom parameters constrained
wR(F2) = 0.106  w = 1/[σ2(Fo2) + (0.0445P)2 + 0.319P]
where P = (Fo2 + 2Fc2)/3
S = 1.03(Δ/σ)max < 0.001
4382 reflectionsΔρmax = 0.59 e Å−3
290 parametersΔρmin = −0.56 e Å−3
Primary atom site location: structure-invariant direct methodsExtinction correction: none
Crystal data top
[Cd(C8H6BrNO4S)(C12H8N2)(CH4O)]V = 2141.1 (5) Å3
Mr = 616.76Z = 4
Monoclinic, P21/cMo Kα
a = 18.712 (3) ŵ = 3.02 mm−1
b = 13.801 (1) ÅT = 294 (2) K
c = 8.3681 (12) Å0.24 × 0.20 × 0.18 mm
β = 97.791 (2)º
Data collection top
Bruker SMART 1000 CCD area-detector
diffractometer		4382 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		2754 reflections with I > 2σ(I)
Tmin = 0.485, Tmax = 0.585Rint = 0.061
11883 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.040290 parameters
wR(F2) = 0.106H-atom parameters constrained
S = 1.03Δρmax = 0.59 e Å−3
4382 reflectionsΔρmin = −0.56 e Å−3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cd10.26012 (2)−0.00001 (3)1.04615 (6)0.03781 (15)
Br1−0.04473 (3)0.29929 (4)0.64972 (7)0.0725 (2)
S10.33001 (5)0.11933 (7)1.35725 (12)0.0389 (3)
O10.18426 (15)0.00142 (18)0.8572 (3)0.0473 (7)
O20.34653 (14)0.02965 (19)1.2771 (3)0.0441 (7)
O30.26898 (15)0.1068 (2)1.4462 (3)0.0499 (7)
O40.39171 (15)0.1656 (2)1.4478 (4)0.0572 (8)
N10.25062 (15)0.1493 (2)1.0740 (4)0.0331 (7)
N20.35398 (17)−0.0178 (2)0.9297 (4)0.0373 (8)
N30.27402 (16)−0.1520 (2)1.0582 (4)0.0344 (7)
C10.1391 (2)0.0703 (3)0.8111 (5)0.0371 (9)
C20.0840 (2)0.0536 (3)0.6811 (5)0.0465 (11)
H20.0835−0.00500.62630.056*
C30.0315 (2)0.1199 (3)0.6328 (5)0.0511 (12)
H3−0.00440.10540.54820.061*
C40.0316 (2)0.2091 (3)0.7097 (5)0.0451 (11)
C50.0855 (2)0.2317 (3)0.8304 (5)0.0387 (9)
H50.08630.29240.87890.046*
C60.14027 (19)0.1634 (3)0.8828 (4)0.0315 (8)
C70.19513 (19)0.1974 (3)1.0094 (4)0.0314 (8)
H70.18980.25991.04760.038*
C80.3014 (2)0.1992 (3)1.1928 (5)0.0398 (10)
H8A0.27860.25601.23190.048*
H8B0.34280.22041.14370.048*
C90.3917 (2)0.0482 (3)0.8632 (5)0.0504 (11)
H90.37710.11260.86470.060*
C100.4520 (2)0.0258 (3)0.7915 (6)0.0591 (13)
H100.47640.07440.74410.071*
C110.4754 (2)−0.0664 (3)0.7904 (5)0.0532 (12)
H110.5165−0.08160.74400.064*
C120.4372 (2)−0.1397 (3)0.8599 (5)0.0401 (10)
C130.4551 (2)−0.2402 (3)0.8598 (5)0.0541 (12)
H130.4968−0.25930.81940.065*
C140.4137 (2)−0.3080 (3)0.9160 (6)0.0533 (12)
H140.4266−0.37290.91160.064*
C150.3498 (2)−0.2816 (3)0.9831 (5)0.0393 (10)
C160.3033 (3)−0.3490 (3)1.0419 (5)0.0493 (11)
H160.3126−0.41501.03630.059*
C170.2447 (2)−0.3174 (3)1.1070 (5)0.0502 (11)
H170.2138−0.36121.14700.060*
C180.2319 (2)−0.2181 (3)1.1125 (5)0.0431 (10)
H180.1917−0.19701.15660.052*
C190.33226 (19)−0.1828 (3)0.9920 (4)0.0323 (9)
C200.37606 (18)−0.1110 (3)0.9276 (4)0.0317 (9)
O50.18771 (15)−0.0173 (2)1.2362 (4)0.0511 (8)
H5A0.2086−0.03521.33910.061*
C210.1118 (3)−0.0026 (4)1.2097 (7)0.0739 (16)
H21A0.10140.05851.15690.111*
H21B0.0933−0.00271.31120.111*
H21C0.0895−0.05381.14290.111*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.0392 (3)0.0302 (3)0.0458 (3)0.0055 (2)0.0122 (2)−0.0006 (2)
Br10.0512 (3)0.0899 (4)0.0723 (4)0.0222 (3)−0.0059 (2)0.0143 (3)
S10.0378 (5)0.0417 (6)0.0371 (6)0.0036 (5)0.0047 (4)−0.0008 (5)
O10.0520 (17)0.0361 (16)0.0517 (18)0.0076 (14)−0.0011 (14)−0.0076 (14)
O20.0494 (16)0.0403 (16)0.0433 (16)0.0087 (13)0.0092 (13)0.0024 (13)
O30.0525 (17)0.0535 (18)0.0477 (17)0.0026 (14)0.0211 (14)−0.0016 (15)
O40.0467 (17)0.069 (2)0.0511 (18)−0.0030 (15)−0.0094 (14)−0.0088 (16)
N10.0333 (17)0.0318 (17)0.0342 (18)−0.0026 (14)0.0045 (14)−0.0027 (14)
N20.0396 (18)0.033 (2)0.0407 (19)0.0013 (15)0.0113 (15)0.0006 (15)
N30.0377 (18)0.0308 (18)0.0347 (18)0.0003 (14)0.0052 (14)0.0009 (15)
C10.042 (2)0.036 (2)0.034 (2)−0.0053 (19)0.0087 (18)0.0001 (18)
C20.060 (3)0.039 (3)0.039 (2)−0.012 (2)0.001 (2)−0.005 (2)
C30.045 (3)0.062 (3)0.042 (3)−0.018 (2)−0.010 (2)0.008 (2)
C40.035 (2)0.060 (3)0.040 (2)0.002 (2)0.0036 (18)0.010 (2)
C50.040 (2)0.039 (2)0.039 (2)0.0059 (19)0.0098 (18)−0.0005 (19)
C60.0295 (19)0.035 (2)0.031 (2)−0.0006 (17)0.0071 (16)0.0006 (17)
C70.034 (2)0.028 (2)0.034 (2)−0.0003 (17)0.0099 (16)0.0005 (17)
C80.036 (2)0.037 (2)0.045 (2)−0.0044 (18)0.0017 (18)−0.0007 (19)
C90.056 (3)0.037 (2)0.062 (3)0.000 (2)0.021 (2)0.003 (2)
C100.058 (3)0.052 (3)0.073 (3)−0.007 (2)0.030 (3)0.011 (3)
C110.040 (2)0.064 (3)0.060 (3)0.002 (2)0.021 (2)−0.007 (2)
C120.035 (2)0.042 (2)0.043 (2)0.0046 (19)0.0033 (18)−0.007 (2)
C130.045 (3)0.059 (3)0.061 (3)0.016 (2)0.013 (2)−0.006 (3)
C140.059 (3)0.038 (3)0.062 (3)0.019 (2)0.006 (2)−0.009 (2)
C150.048 (2)0.031 (2)0.036 (2)0.0024 (19)−0.0040 (19)−0.0019 (18)
C160.067 (3)0.032 (2)0.046 (3)0.001 (2)−0.006 (2)−0.002 (2)
C170.061 (3)0.039 (3)0.049 (3)−0.013 (2)0.003 (2)0.003 (2)
C180.042 (2)0.044 (3)0.044 (2)−0.0046 (19)0.0075 (19)−0.001 (2)
C190.031 (2)0.032 (2)0.033 (2)0.0038 (17)−0.0017 (16)−0.0037 (18)
C200.033 (2)0.032 (2)0.030 (2)0.0031 (17)0.0009 (16)−0.0044 (17)
O50.0486 (17)0.0553 (19)0.0529 (18)0.0001 (14)0.0192 (14)0.0029 (15)
C210.054 (3)0.098 (4)0.077 (4)−0.009 (3)0.034 (3)−0.012 (3)
Geometric parameters (Å, °) top
Cd1—O11.977 (3)C7—H70.9300
Cd1—N12.084 (3)C8—H8A0.9700
Cd1—N32.115 (3)C8—H8B0.9700
Cd1—N22.135 (3)C9—C101.383 (6)
Cd1—O52.237 (3)C9—H90.9300
Cd1—O22.381 (3)C10—C111.347 (6)
Br1—C41.910 (4)C10—H100.9300
S1—O41.441 (3)C11—C121.409 (6)
S1—O31.455 (3)C11—H110.9300
S1—O21.461 (3)C12—C201.402 (5)
S1—C81.788 (4)C12—C131.427 (6)
O1—C11.296 (4)C13—C141.339 (6)
N1—C71.288 (4)C13—H130.9300
N1—C81.453 (4)C14—C151.436 (6)
N2—C91.321 (5)C14—H140.9300
N2—C201.352 (4)C15—C191.406 (5)
N3—C181.324 (5)C15—C161.407 (6)
N3—C191.356 (5)C16—C171.361 (6)
C1—C21.412 (5)C16—H160.9300
C1—C61.418 (5)C17—C181.393 (5)
C2—C31.362 (6)C17—H170.9300
C2—H20.9300C18—H180.9300
C3—C41.388 (6)C19—C201.437 (5)
C3—H30.9300O5—C211.422 (5)
C4—C51.363 (5)O5—H5A0.9300
C5—C61.417 (5)C21—H21A0.9600
C5—H50.9300C21—H21B0.9600
C6—C71.449 (5)C21—H21C0.9600
O1—Cd1—N190.95 (11)C6—C7—H7116.9
O1—Cd1—N396.80 (11)N1—C8—S1109.5 (2)
N1—Cd1—N3170.89 (11)N1—C8—H8A109.8
O1—Cd1—N2100.49 (12)S1—C8—H8A109.8
N1—Cd1—N2104.63 (12)N1—C8—H8B109.8
N3—Cd1—N278.72 (12)S1—C8—H8B109.8
O1—Cd1—O597.54 (12)H8A—C8—H8B108.2
N1—Cd1—O587.53 (11)N2—C9—C10122.9 (4)
N3—Cd1—O586.72 (11)N2—C9—H9118.6
N2—Cd1—O5157.97 (11)C10—C9—H9118.6
O1—Cd1—O2169.29 (10)C11—C10—C9120.0 (4)
N1—Cd1—O278.36 (10)C11—C10—H10120.0
N3—Cd1—O293.80 (10)C9—C10—H10120.0
N2—Cd1—O283.10 (11)C10—C11—C12119.5 (4)
O5—Cd1—O281.46 (10)C10—C11—H11120.3
O4—S1—O3114.30 (18)C12—C11—H11120.3
O4—S1—O2114.37 (17)C20—C12—C11116.8 (4)
O3—S1—O2111.35 (16)C20—C12—C13118.7 (4)
O4—S1—C8105.46 (18)C11—C12—C13124.4 (4)
O3—S1—C8107.03 (18)C14—C13—C12122.1 (4)
O2—S1—C8103.24 (17)C14—C13—H13118.9
C1—O1—Cd1127.9 (2)C12—C13—H13118.9
S1—O2—Cd1110.84 (14)C13—C14—C15120.8 (4)
C7—N1—C8117.2 (3)C13—C14—H14119.6
C7—N1—Cd1122.6 (2)C15—C14—H14119.6
C8—N1—Cd1119.2 (2)C19—C15—C16117.6 (4)
C9—N2—C20118.0 (3)C19—C15—C14118.6 (4)
C9—N2—Cd1129.3 (3)C16—C15—C14123.8 (4)
C20—N2—Cd1112.8 (2)C17—C16—C15119.9 (4)
C18—N3—C19118.2 (3)C17—C16—H16120.1
C18—N3—Cd1128.6 (3)C15—C16—H16120.1
C19—N3—Cd1113.1 (2)C16—C17—C18118.6 (4)
O1—C1—C2119.3 (4)C16—C17—H17120.7
O1—C1—C6124.5 (3)C18—C17—H17120.7
C2—C1—C6116.2 (4)N3—C18—C17123.6 (4)
C3—C2—C1122.7 (4)N3—C18—H18118.2
C3—C2—H2118.6C17—C18—H18118.2
C1—C2—H2118.6N3—C19—C15122.1 (4)
C2—C3—C4120.2 (4)N3—C19—C20117.9 (3)
C2—C3—H3119.9C15—C19—C20120.0 (3)
C4—C3—H3119.9N2—C20—C12122.9 (4)
C5—C4—C3120.0 (4)N2—C20—C19117.4 (3)
C5—C4—Br1119.8 (3)C12—C20—C19119.7 (3)
C3—C4—Br1120.1 (3)C21—O5—Cd1124.2 (3)
C4—C5—C6120.6 (4)C21—O5—H5A117.9
C4—C5—H5119.7Cd1—O5—H5A117.9
C6—C5—H5119.7O5—C21—H21A109.5
C1—C6—C5120.1 (3)O5—C21—H21B109.5
C1—C6—C7124.9 (3)H21A—C21—H21B109.5
C5—C6—C7115.0 (3)O5—C21—H21C109.5
N1—C7—C6126.2 (3)H21A—C21—H21C109.5
N1—C7—H7116.9H21B—C21—H21C109.5
N1—Cd1—O1—C1−14.3 (3)C4—C5—C6—C7178.6 (3)
N3—Cd1—O1—C1160.9 (3)C8—N1—C7—C6176.4 (3)
N2—Cd1—O1—C1−119.4 (3)Cd1—N1—C7—C6−14.8 (5)
O5—Cd1—O1—C173.3 (3)C1—C6—C7—N10.7 (6)
O2—Cd1—O1—C1−10.6 (8)C5—C6—C7—N1−178.7 (4)
O4—S1—O2—Cd1−153.75 (17)C7—N1—C8—S1138.6 (3)
O3—S1—O2—Cd174.79 (18)Cd1—N1—C8—S1−30.6 (3)
C8—S1—O2—Cd1−39.73 (19)O4—S1—C8—N1166.6 (3)
O1—Cd1—O2—S119.0 (7)O3—S1—C8—N1−71.3 (3)
N1—Cd1—O2—S122.80 (16)O2—S1—C8—N146.3 (3)
N3—Cd1—O2—S1−152.52 (16)C20—N2—C9—C100.4 (6)
N2—Cd1—O2—S1129.34 (17)Cd1—N2—C9—C10179.9 (3)
O5—Cd1—O2—S1−66.42 (16)N2—C9—C10—C11−1.3 (7)
O1—Cd1—N1—C718.1 (3)C9—C10—C11—C121.2 (7)
N2—Cd1—N1—C7119.2 (3)C10—C11—C12—C20−0.1 (6)
O5—Cd1—N1—C7−79.4 (3)C10—C11—C12—C13177.2 (4)
O2—Cd1—N1—C7−161.2 (3)C20—C12—C13—C142.8 (6)
O1—Cd1—N1—C8−173.3 (3)C11—C12—C13—C14−174.5 (4)
N2—Cd1—N1—C8−72.2 (3)C12—C13—C14—C15−1.5 (7)
O5—Cd1—N1—C889.2 (3)C13—C14—C15—C19−1.5 (6)
O2—Cd1—N1—C87.4 (3)C13—C14—C15—C16179.0 (4)
O1—Cd1—N2—C983.0 (4)C19—C15—C16—C17−1.1 (6)
N1—Cd1—N2—C9−10.7 (4)C14—C15—C16—C17178.5 (4)
N3—Cd1—N2—C9178.0 (4)C15—C16—C17—C180.5 (6)
O5—Cd1—N2—C9−132.5 (4)C19—N3—C18—C170.8 (6)
O2—Cd1—N2—C9−86.8 (4)Cd1—N3—C18—C17176.6 (3)
O1—Cd1—N2—C20−97.4 (3)C16—C17—C18—N3−0.3 (6)
N1—Cd1—N2—C20168.9 (2)C18—N3—C19—C15−1.5 (5)
N3—Cd1—N2—C20−2.4 (2)Cd1—N3—C19—C15−177.9 (3)
O5—Cd1—N2—C2047.1 (4)C18—N3—C19—C20177.6 (3)
O2—Cd1—N2—C2092.9 (2)Cd1—N3—C19—C201.1 (4)
O1—Cd1—N3—C18−75.9 (3)C16—C15—C19—N31.6 (5)
N2—Cd1—N3—C18−175.3 (3)C14—C15—C19—N3−178.0 (3)
O5—Cd1—N3—C1821.3 (3)C16—C15—C19—C20−177.4 (3)
O2—Cd1—N3—C18102.5 (3)C14—C15—C19—C203.0 (5)
O1—Cd1—N3—C19100.1 (2)C9—N2—C20—C120.7 (5)
N2—Cd1—N3—C190.7 (2)Cd1—N2—C20—C12−178.9 (3)
O5—Cd1—N3—C19−162.7 (2)C9—N2—C20—C19−176.5 (3)
O2—Cd1—N3—C19−81.5 (2)Cd1—N2—C20—C193.8 (4)
Cd1—O1—C1—C2−173.8 (3)C11—C12—C20—N2−0.8 (5)
Cd1—O1—C1—C66.0 (6)C13—C12—C20—N2−178.4 (3)
O1—C1—C2—C3175.4 (4)C11—C12—C20—C19176.4 (3)
C6—C1—C2—C3−4.4 (6)C13—C12—C20—C19−1.2 (5)
C1—C2—C3—C41.5 (7)N3—C19—C20—N2−3.4 (5)
C2—C3—C4—C52.0 (6)C15—C19—C20—N2175.7 (3)
C2—C3—C4—Br1−176.6 (3)N3—C19—C20—C12179.2 (3)
C3—C4—C5—C6−2.3 (6)C15—C19—C20—C12−1.7 (5)
Br1—C4—C5—C6176.3 (3)O1—Cd1—O5—C21−14.5 (3)
O1—C1—C6—C5−175.8 (4)N1—Cd1—O5—C2176.2 (3)
C2—C1—C6—C54.0 (5)N3—Cd1—O5—C21−110.9 (3)
O1—C1—C6—C74.8 (6)N2—Cd1—O5—C21−159.3 (3)
C2—C1—C6—C7−175.3 (3)O2—Cd1—O5—C21154.8 (3)
C4—C5—C6—C1−0.8 (6)
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O5—H5A···O30.932.382.759 (4)104
C7—H7···O3i0.932.583.113 (5)117
C8—H8B···O4i0.972.533.388 (5)147
C18—H18···O50.932.573.109 (5)117
Symmetry codes: (i) x, −y+1/2, z−1/2.
Table 1
Selected geometric parameters (Å, °) top
Cd1—O11.977 (3)Cd1—N22.135 (3)
Cd1—N12.084 (3)Cd1—O52.237 (3)
Cd1—N32.115 (3)Cd1—O22.381 (3)
O1—Cd1—N190.95 (11)N3—Cd1—O586.72 (11)
O1—Cd1—N396.80 (11)N2—Cd1—O5157.97 (11)
N1—Cd1—N3170.89 (11)O1—Cd1—O2169.29 (10)
O1—Cd1—N2100.49 (12)N1—Cd1—O278.36 (10)
N1—Cd1—N2104.63 (12)N3—Cd1—O293.80 (10)
N3—Cd1—N278.72 (12)N2—Cd1—O283.10 (11)
O1—Cd1—O597.54 (12)O5—Cd1—O281.46 (10)
N1—Cd1—O587.53 (11)
Table 2
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O5—H5A···O30.932.382.759 (4)104
C7—H7···O3i0.932.583.113 (5)117
C8—H8B···O4i0.972.533.388 (5)147
C18—H18···O50.932.573.109 (5)117
Symmetry codes: (i) x, −y+1/2, z−1/2.
Acknowledgements top

This work was supported by the Construct Program of the Key Discipline in Hunan Province and Hunan Provincial Natural Science Foundation of China (grant No. 05 J J30015).

references
References top

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Zhang, S.-H., Jiang, Y.-M. & Yu, K.-B. (2005). Acta Cryst. E61, m209–m211.