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Acta Cryst. (2009). E65, m1173    [ doi:10.1107/S1600536809035466 ]

catena-Poly[[[aqua(2,2'-bipyridine)manganese(II)]-[mu]-5-methoxyisophthalato-[kappa]3O,O':O''] monohydrate]

S.-M. Shen

Abstract top

In the title compound, {[Mn(C8H4O4)(C10H8N2)(H2O)]·H2O}n, the MnII centre is octahedrally coordinated by three O atoms from two 5-methoxyisophthalate (CH3O-ip) ligands, a fourth from a coordinated water molecule and two N atoms from one chelating 2,2'-bipyridine (2,2-bipy) ligand. Each pair of adjacent MnII atoms is bridged by a CH3O-ip ligand, forming a helical chain running along a crystallographic 21 axis in the c-axis direction. These chains are decorated with 2,2'-bipy ligands on alternating sides. O-H...O hydrogen bonding involving the water molecules stabilizes the crystal structure.

Comment top

Much effort has been focused on the design and controlled synthesis of metal-organic frameworks (Kitagawa et al., 2004). Polycarboxylate ligands have received considerable attention, owing to the variety of their coordination modes and structural features. 5-Methoxyisophthalic acid is a potential multi-dentate ligand with a versatile coordination mode, which has been used in self-asssembled porous coordination synthesis (Ma et al., 2009). The title compound, (I), was constructed by two kinds of bridging and chelating ligands under mild condition, CH3O-ip and 2,2'-bipy which were self-assembled to a one-dimensional neutral metal-organic compound. In this paper, the crystal structure of (I) is presented.

As illustrated in Fig. 1, MnII adopts a distorted octahedral geometry, generated by three O atoms from one bidenated-chelating carboxylate and one monodenated carboxylate group from two adjacent CH3O-ip, a fourth O from a coordinated water molecule, and two N atoms from one chelating 2,2-bipy ligand. The four atoms (O1, O2, O4 and N2) in the equatorial plane around the Mn atom form a highly distorted square-planar arrangement, while the distorted octahedral coordination is completed by the N atom of 2,2-bipy (N1) and the O atom of the water molecule (O6) in the axial positions.

The neighboring Mn atoms are linked by CH3O-ip ligands forming a one-dimensional helical chain running along a crystallographic 21 axis in the c-direction (Fig. 2). These chains are decorated with 2,2'-bipy ligands alternating at both sides, which is similar to some already reported complexes (Chen & Liu, 2002; Liu et al., 2009 ). There are no remarkable π-π interactions between rings of 2,2'-bipy ligands due to its transplacement arrange.

In the crystal structure, strong intermolecular O-H···O hydrogen bonds (Table 2) link the molecules into a 2D network.

Related literature top

For related structures, see: Chen & Liu, (2002); Liu et al. (2009). For the design and controlled synthesis of metal-organic frameworks, see: Kitagawa et al. (2004). For the use of 5-methoxyisophthalic acid in self-asssembled porous coordination synthesis, see: Ma et al. (2009).

Experimental top

The title compound was obtained by direct mixing of equimolar (21mg, 0.1mmol)) Mn(AC)2 water solution (4mL) and CH3O-H2ip (20mg, 0.1mmol), 2,2'-bipy (0.19mg, 0.1mmol) and NaOH (3.8mg, 0.09mmol) 96% methanol solutions (10mL). After a few days, some crystalline material had precipitated, but it was found to be unsuitable for X-ray diffraction. This material was therefore dissolved in water and heated at 398 K for 3 h in a pressurized reactor. Slow evaporation of this solution resulted in the formation of some block crystals of (I), which were suitable for X-ray analysis.

Refinement top

All H atoms attached to C atoms were placed geometrically and treated as riding with C—H = 0.93 Å (aromatic) with Uiso(H) = 1.2Ueq(C). H atoms of water molecule were located in difference Fourier maps and included in the subsequent refinement using restraints (O-H= 0.85 (2)Å and H···H= 1.38 (2)Å) with Uiso(H) = 1.5Ueq(O). The highest residual difference electron-density peak occurs close to atom O1 with 1.17Å.

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPIII (Burnett & Johnson, 1996), ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2009); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The ORTEP plot of (I), showing the atom-labeling scheme. Ellipsoids are drawn at the the 30% probability level. Symmetry codes: (i) 2-x, y-1/2, 3/2-z; (ii) 2-x, y+1/2, 3/2-z
[Figure 2] Fig. 2. A partial packing virçew of the title compounds, showing the formation of a chain along c axis.
catena-Poly[[[aqua(2,2'-bipyridine)manganese(II)]-µ-5- methoxyisophthalato-κ3O,O':O''] monohydrate] top
Crystal data top
[Mn(C8H4O4)(C10H8N2)(H2O)]·H2OF(000) = 908
Mr = 441.29Dx = 1.518 Mg m−3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 3462 reflections
a = 8.9067 (13) Åθ = 2.6–25.2°
b = 17.367 (3) ŵ = 0.73 mm−1
c = 12.5804 (18) ÅT = 298 K
β = 97.176 (2)°Block, yellow
V = 1930.7 (5) Å30.19 × 0.14 × 0.09 mm
Z = 4
Data collection top
Bruker APEXII area-detector
diffractometer		3470 independent reflections
Radiation source: fine-focus sealed tube2275 reflections with I > 2σ(I)
graphiteRint = 0.061
φ and ω scansθmax = 25.2°, θmin = 2.6°
Absorption correction: multi-scan
(SADABS; Bruker, 2005)		h = −10→10
Tmin = 0.874, Tmax = 0.937k = −20→20
11370 measured reflectionsl = −14→14
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)] = 0.044Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.091H atoms treated by a mixture of independent and constrained refinement
S = 1.02 w = 1/[σ2(Fo2) + (0.0276P)2 + 0.6024P]
where P = (Fo2 + 2Fc2)/3
3470 reflections(Δ/σ)max = 0.001
275 parametersΔρmax = 0.26 e Å−3
6 restraintsΔρmin = −0.29 e Å−3
Crystal data top
[Mn(C8H4O4)(C10H8N2)(H2O)]·H2OV = 1930.7 (5) Å3
Mr = 441.29Z = 4
Monoclinic, P21/cMo Kα radiation
a = 8.9067 (13) ŵ = 0.73 mm−1
b = 17.367 (3) ÅT = 298 K
c = 12.5804 (18) Å0.19 × 0.14 × 0.09 mm
β = 97.176 (2)°
Data collection top
Bruker APEXII area-detector
diffractometer		3470 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2005)		2275 reflections with I > 2σ(I)
Tmin = 0.874, Tmax = 0.937Rint = 0.061
11370 measured reflectionsθmax = 25.2°
Refinement top
R[F2 > 2σ(F2)] = 0.044H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.091Δρmax = 0.26 e Å−3
S = 1.02Δρmin = −0.29 e Å−3
3470 reflectionsAbsolute structure: ?
275 parametersFlack parameter: ?
6 restraintsRogers parameter: ?
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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
Mn10.86083 (5)0.64881 (3)0.57766 (4)0.03184 (15)
O10.7990 (3)0.77011 (13)0.48474 (19)0.0610 (8)
O20.9562 (3)0.76311 (12)0.63126 (18)0.0498 (7)
O31.0696 (2)1.00516 (13)0.85451 (17)0.0443 (6)
O41.0246 (3)1.11522 (13)0.77017 (18)0.0507 (7)
O50.6696 (3)1.04731 (14)0.43566 (19)0.0708 (9)
N10.6456 (3)0.66681 (15)0.6502 (2)0.0391 (7)
N20.6681 (3)0.60012 (15)0.4629 (2)0.0337 (6)
C10.8656 (4)0.88801 (18)0.5761 (3)0.0330 (8)
C20.9443 (3)0.92408 (18)0.6647 (2)0.0332 (8)
H21.00490.89520.71550.040*
C30.9327 (3)1.00281 (18)0.6774 (2)0.0310 (7)
C40.8419 (4)1.04587 (19)0.6018 (3)0.0418 (9)
H40.83431.09890.61020.050*
C50.7631 (4)1.0102 (2)0.5143 (3)0.0453 (9)
C60.7755 (4)0.93092 (18)0.5017 (3)0.0417 (9)
H60.72250.90680.44250.050*
C70.8744 (4)0.80229 (19)0.5621 (3)0.0402 (9)
C81.0148 (3)1.0427 (2)0.7738 (3)0.0348 (8)
C90.6513 (6)1.1283 (2)0.4467 (3)0.0872 (17)
H9A0.61161.13890.51270.131*
H9B0.58241.14730.38780.131*
H9C0.74751.15320.44710.131*
C100.6399 (4)0.7003 (2)0.7453 (3)0.0499 (10)
H100.73090.71320.78600.060*
C110.5089 (4)0.7168 (2)0.7862 (3)0.0554 (10)
H110.51070.74070.85260.067*
C120.3748 (4)0.6973 (2)0.7273 (3)0.0607 (11)
H120.28350.70730.75330.073*
C130.3765 (4)0.6624 (2)0.6285 (3)0.0527 (10)
H130.28620.64920.58720.063*
C140.5131 (3)0.64735 (19)0.5918 (2)0.0348 (8)
C150.5263 (3)0.60952 (18)0.4878 (2)0.0317 (8)
C160.4026 (4)0.5843 (2)0.4195 (3)0.0468 (9)
H160.30560.59030.43830.056*
C170.4231 (4)0.5504 (2)0.3238 (3)0.0532 (10)
H170.34030.53390.27690.064*
C180.5661 (4)0.5414 (2)0.2983 (3)0.0523 (10)
H180.58290.51870.23380.063*
C190.6858 (4)0.5666 (2)0.3703 (3)0.0457 (9)
H190.78360.55980.35310.055*
O61.0261 (3)0.62274 (13)0.47247 (18)0.0421 (6)
H1W1.037 (4)0.6603 (12)0.432 (2)0.063*
H2W1.033 (4)0.5804 (11)0.440 (2)0.063*
O70.0671 (3)0.74055 (16)0.3430 (2)0.0584 (7)
H3W0.041 (4)0.734 (2)0.2772 (16)0.088*
H4W0.016 (4)0.7774 (18)0.364 (3)0.088*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mn10.0319 (3)0.0319 (3)0.0307 (3)−0.0004 (2)0.0002 (2)−0.0032 (2)
O10.098 (2)0.0369 (15)0.0428 (15)−0.0028 (14)−0.0116 (15)−0.0114 (13)
O20.0714 (17)0.0300 (14)0.0447 (15)0.0034 (12)−0.0057 (13)0.0006 (12)
O30.0495 (15)0.0450 (15)0.0357 (14)−0.0025 (12)−0.0049 (11)0.0000 (12)
O40.0683 (17)0.0278 (14)0.0521 (16)−0.0073 (12)−0.0081 (13)−0.0043 (12)
O50.107 (2)0.0441 (16)0.0505 (16)0.0136 (16)−0.0334 (16)0.0026 (14)
N10.0396 (16)0.0476 (18)0.0297 (16)0.0028 (14)0.0037 (13)−0.0038 (14)
N20.0332 (15)0.0381 (17)0.0299 (15)−0.0007 (13)0.0046 (12)−0.0070 (13)
C10.047 (2)0.0278 (17)0.0244 (17)−0.0025 (16)0.0053 (15)−0.0002 (15)
C20.0362 (19)0.033 (2)0.0303 (19)−0.0003 (15)0.0046 (15)0.0053 (15)
C30.0375 (18)0.0296 (19)0.0264 (18)−0.0064 (15)0.0063 (14)−0.0025 (15)
C40.058 (2)0.0267 (18)0.039 (2)0.0013 (17)−0.0033 (18)−0.0013 (16)
C50.062 (2)0.039 (2)0.032 (2)0.0034 (18)−0.0067 (18)0.0023 (17)
C60.060 (2)0.030 (2)0.032 (2)−0.0023 (17)−0.0035 (18)−0.0043 (16)
C70.056 (2)0.033 (2)0.033 (2)−0.0039 (18)0.0117 (18)−0.0007 (17)
C80.0336 (19)0.036 (2)0.036 (2)−0.0019 (16)0.0068 (16)−0.0061 (17)
C90.140 (5)0.044 (3)0.065 (3)0.029 (3)−0.036 (3)0.000 (2)
C100.050 (2)0.066 (3)0.034 (2)−0.001 (2)0.0065 (18)−0.0099 (19)
C110.065 (3)0.066 (3)0.037 (2)0.013 (2)0.017 (2)−0.006 (2)
C120.050 (2)0.079 (3)0.058 (3)0.015 (2)0.024 (2)0.000 (2)
C130.037 (2)0.071 (3)0.050 (2)0.006 (2)0.0069 (17)−0.004 (2)
C140.0328 (17)0.0364 (19)0.0352 (19)0.0041 (16)0.0035 (15)0.0046 (17)
C150.0284 (18)0.0344 (19)0.0323 (19)0.0017 (14)0.0035 (14)0.0018 (15)
C160.0317 (19)0.067 (3)0.041 (2)−0.0044 (18)0.0006 (16)−0.007 (2)
C170.047 (2)0.069 (3)0.041 (2)−0.015 (2)−0.0054 (18)−0.011 (2)
C180.050 (2)0.068 (3)0.038 (2)−0.006 (2)0.0030 (19)−0.016 (2)
C190.038 (2)0.060 (3)0.040 (2)0.0013 (18)0.0044 (17)−0.0136 (19)
O60.0435 (14)0.0394 (14)0.0444 (16)−0.0025 (13)0.0090 (12)−0.0006 (12)
O70.0654 (19)0.0565 (19)0.0529 (17)0.0004 (14)0.0060 (15)0.0046 (15)
Geometric parameters (Å, °) top
Mn1—O4i2.135 (2)C5—C61.392 (4)
Mn1—O62.147 (2)C6—H60.9300
Mn1—O22.230 (2)C9—H9A0.9600
Mn1—N12.246 (3)C9—H9B0.9600
Mn1—N22.264 (2)C9—H9C0.9600
Mn1—O12.439 (2)C10—C111.364 (5)
O1—C71.244 (4)C10—H100.9300
O2—C71.261 (4)C11—C121.368 (5)
O3—C81.254 (4)C11—H110.9300
O4—C81.263 (4)C12—C131.384 (5)
O4—Mn1ii2.135 (2)C12—H120.9300
O5—C51.372 (4)C13—C141.379 (4)
O5—C91.424 (4)C13—H130.9300
N1—C101.337 (4)C14—C151.482 (4)
N1—C141.353 (4)C15—C161.381 (4)
N2—C191.330 (4)C16—C171.373 (5)
N2—C151.349 (4)C16—H160.9300
C1—C61.375 (4)C17—C181.361 (5)
C1—C21.389 (4)C17—H170.9300
C1—C71.502 (4)C18—C191.381 (4)
C2—C31.382 (4)C18—H180.9300
C2—H20.9300C19—H190.9300
C3—C41.388 (4)O6—H1W0.837 (17)
C3—C81.504 (4)O6—H2W0.846 (17)
C4—C51.376 (4)O7—H3W0.839 (18)
C4—H40.9300O7—H4W0.847 (18)
O4i—Mn1—O6101.98 (9)O2—C7—C1119.2 (3)
O4i—Mn1—O281.42 (9)O3—C8—O4121.7 (3)
O6—Mn1—O296.29 (9)O3—C8—C3120.9 (3)
O4i—Mn1—N190.59 (9)O4—C8—C3117.4 (3)
O6—Mn1—N1164.94 (9)O5—C9—H9A109.5
O2—Mn1—N193.75 (9)O5—C9—H9B109.5
O4i—Mn1—N2135.16 (10)H9A—C9—H9B109.5
O6—Mn1—N292.96 (9)O5—C9—H9C109.5
O2—Mn1—N2139.02 (9)H9A—C9—H9C109.5
N1—Mn1—N272.15 (9)H9B—C9—H9C109.5
O4i—Mn1—O1136.04 (9)N1—C10—C11124.0 (3)
O6—Mn1—O191.03 (9)N1—C10—H10118.0
O2—Mn1—O155.30 (8)C11—C10—H10118.0
N1—Mn1—O185.48 (9)C10—C11—C12118.3 (3)
N2—Mn1—O184.78 (9)C10—C11—H11120.9
C7—O1—Mn186.9 (2)C12—C11—H11120.9
C7—O2—Mn196.11 (19)C11—C12—C13119.2 (4)
C8—O4—Mn1ii105.5 (2)C11—C12—H12120.4
C5—O5—C9117.4 (3)C13—C12—H12120.4
C10—N1—C14117.8 (3)C14—C13—C12119.5 (3)
C10—N1—Mn1123.6 (2)C14—C13—H13120.2
C14—N1—Mn1118.4 (2)C12—C13—H13120.2
C19—N2—C15118.3 (3)N1—C14—C13121.1 (3)
C19—N2—Mn1124.0 (2)N1—C14—C15115.5 (3)
C15—N2—Mn1117.7 (2)C13—C14—C15123.4 (3)
C6—C1—C2119.7 (3)N2—C15—C16121.0 (3)
C6—C1—C7119.5 (3)N2—C15—C14116.0 (3)
C2—C1—C7120.8 (3)C16—C15—C14123.0 (3)
C3—C2—C1120.1 (3)C17—C16—C15119.9 (3)
C3—C2—H2119.9C17—C16—H16120.0
C1—C2—H2119.9C15—C16—H16120.0
C2—C3—C4119.9 (3)C18—C17—C16119.2 (3)
C2—C3—C8120.9 (3)C18—C17—H17120.4
C4—C3—C8119.1 (3)C16—C17—H17120.4
C5—C4—C3120.1 (3)C17—C18—C19118.5 (3)
C5—C4—H4120.0C17—C18—H18120.7
C3—C4—H4120.0C19—C18—H18120.7
O5—C5—C4124.6 (3)N2—C19—C18123.2 (3)
O5—C5—C6115.6 (3)N2—C19—H19118.4
C4—C5—C6119.8 (3)C18—C19—H19118.4
C1—C6—C5120.4 (3)Mn1—O6—H1W110 (2)
C1—C6—H6119.8Mn1—O6—H2W125 (2)
C5—C6—H6119.8H1W—O6—H2W112 (3)
O1—C7—O2120.4 (3)H3W—O7—H4W108 (3)
O1—C7—C1120.4 (3)
O4i—Mn1—O1—C75.0 (3)O5—C5—C6—C1−179.7 (3)
O6—Mn1—O1—C7−103.5 (2)C4—C5—C6—C10.2 (5)
O2—Mn1—O1—C7−6.56 (19)Mn1—O1—C7—O211.1 (3)
N1—Mn1—O1—C791.2 (2)Mn1—O1—C7—C1−167.1 (3)
N2—Mn1—O1—C7163.6 (2)Mn1—O2—C7—O1−12.2 (4)
O4i—Mn1—O2—C7−165.4 (2)Mn1—O2—C7—C1166.0 (3)
O6—Mn1—O2—C793.4 (2)C6—C1—C7—O1−1.1 (5)
N1—Mn1—O2—C7−75.4 (2)C2—C1—C7—O1177.2 (3)
N2—Mn1—O2—C7−8.5 (3)C6—C1—C7—O2−179.3 (3)
O1—Mn1—O2—C76.50 (19)C2—C1—C7—O2−1.0 (5)
O4i—Mn1—N1—C1041.7 (3)Mn1ii—O4—C8—O3−1.6 (4)
O6—Mn1—N1—C10−171.5 (3)Mn1ii—O4—C8—C3177.8 (2)
O2—Mn1—N1—C10−39.8 (3)C2—C3—C8—O3−14.7 (5)
N2—Mn1—N1—C10179.6 (3)C4—C3—C8—O3164.0 (3)
O1—Mn1—N1—C10−94.5 (3)C2—C3—C8—O4166.0 (3)
O4i—Mn1—N1—C14−142.8 (2)C4—C3—C8—O4−15.4 (4)
O6—Mn1—N1—C144.0 (5)C14—N1—C10—C11−0.8 (5)
O2—Mn1—N1—C14135.8 (2)Mn1—N1—C10—C11174.8 (3)
N2—Mn1—N1—C14−4.9 (2)N1—C10—C11—C120.7 (6)
O1—Mn1—N1—C1481.0 (2)C10—C11—C12—C13−0.6 (6)
O4i—Mn1—N2—C19−107.3 (3)C11—C12—C13—C140.6 (6)
O6—Mn1—N2—C193.0 (3)C10—N1—C14—C130.8 (5)
O2—Mn1—N2—C19106.1 (3)Mn1—N1—C14—C13−175.0 (3)
N1—Mn1—N2—C19−179.3 (3)C10—N1—C14—C15−179.2 (3)
O1—Mn1—N2—C1993.7 (3)Mn1—N1—C14—C155.0 (4)
O4i—Mn1—N2—C1576.3 (3)C12—C13—C14—N1−0.7 (5)
O6—Mn1—N2—C15−173.4 (2)C12—C13—C14—C15179.3 (3)
O2—Mn1—N2—C15−70.3 (3)C19—N2—C15—C160.6 (5)
N1—Mn1—N2—C154.3 (2)Mn1—N2—C15—C16177.2 (2)
O1—Mn1—N2—C15−82.6 (2)C19—N2—C15—C14−179.9 (3)
C6—C1—C2—C3−0.4 (5)Mn1—N2—C15—C14−3.3 (4)
C7—C1—C2—C3−178.7 (3)N1—C14—C15—N2−1.0 (4)
C1—C2—C3—C40.2 (5)C13—C14—C15—N2178.9 (3)
C1—C2—C3—C8178.9 (3)N1—C14—C15—C16178.4 (3)
C2—C3—C4—C50.2 (5)C13—C14—C15—C16−1.6 (5)
C8—C3—C4—C5−178.5 (3)N2—C15—C16—C17−1.2 (5)
C9—O5—C5—C4−1.1 (6)C14—C15—C16—C17179.3 (3)
C9—O5—C5—C6178.7 (4)C15—C16—C17—C180.8 (6)
C3—C4—C5—O5179.5 (3)C16—C17—C18—C190.1 (6)
C3—C4—C5—C6−0.4 (5)C15—N2—C19—C180.4 (5)
C2—C1—C6—C50.2 (5)Mn1—N2—C19—C18−176.0 (3)
C7—C1—C6—C5178.6 (3)C17—C18—C19—N2−0.8 (6)
Symmetry codes: (i) −x+2, y−1/2, −z+3/2; (ii) −x+2, y+1/2, −z+3/2.
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O6—H1W···O7iii0.84 (2)1.83 (2)2.668 (4)178 (4)
O6—H2W···O3iv0.85 (2)1.89 (2)2.726 (3)171 (3)
O7—H3W···O2v0.84 (2)1.90 (2)2.724 (3)169 (4)
Symmetry codes: (iii) x+1, y, z; (iv) x, −y+3/2, z−1/2; (v) x−1, −y+3/2, z−1/2.
Table 1
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O6—H1W···O7i0.84 (2)1.83 (2)2.668 (4)178 (4)
O6—H2W···O3ii0.85 (2)1.89 (2)2.726 (3)171 (3)
O7—H3W···O2iii0.84 (2)1.90 (2)2.724 (3)169 (4)
Symmetry codes: (i) x+1, y, z; (ii) x, −y+3/2, z−1/2; (iii) x−1, −y+3/2, z−1/2.
Acknowledgements top

The authors are grateful to the Zhejiang Economic and Trade Polytechnic for financial support. Professor Jean-Claude Daran is thanked for his great help with the refinement

references
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