catena-Poly[4,4′-bipyridinium [[diaqua­disulfatocadmium(II)]-μ-4,4′-bipyridine-κ2N:N′] dihydrate]

Xu, W.; Huang, B.-J.; Qiu, L.-F.

doi:10.1107/S1600536809051502

metal-organic compounds

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ISSN: 2056-9890

Volume 66| Part 1| January 2010| Page m44

doi:10.1107/S1600536809051502

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catena-Poly[4,4′-bipyridinium [[diaquadisulfatocadmium(II)]-μ-4,4′-bipyridine-κ²N:N′] dihydrate]

Wei Xu,^a ^* Bi-Ju Huang ^a and Ling-Feng Qiu ^a

^aState Key Laboratory Base of Novel Functional Materials & Preparation Science, Center of Applied Solid State Chemistry Research, Ningbo University, Ningbo 315211, People's Republic of China
^*Correspondence e-mail: xuwei@nbu.edu.cn

(Received 15 November 2009; accepted 30 November 2009; online 12 December 2009)

The title compound, {(C₁₀H₁₀N₂)[Cd(SO₄)₂(C₁₀H₈N₂)(H₂O)₂]·2H₂O}_n, consists of anionic chains of the Cd complex, diprotonated 4,4′-bipyridinium cations and uncoordinated water molecules. In the anionic chain, the Cd atom lies on a center of inversion in an octahedral geometry. The midpoint of the coordinated bipyridine also resides on a center of inversion, as does the non-coordinated bipyridinium counterion. O—H⋯O and N—H⋯O hydrogen bonding interactions and π–π stacking interactions in the structure are responsible for the supramolecular assembly.

Related literature

For background to the structures, topologies and potential applications of metal-organic frameworks, see: Batten & Robson (1998 ). For the use of 4,4′-bipyridine (bpy) in the construction of supramolecular architectures, see: Biradha et al. (2006 ). For the isostructural complex {(H₂bpy)[Mn(SO₄)₂(bpy)(H₂O)₂]·2H₂O}_n, see: Fan & Zhu (2005 ).

Experimental

Crystal data

(C₁₀H₁₀N₂)[Cd(SO₄)₂(C₁₀H₈N₂)(H₂O)₂]·2H₂O
M_r = 690.97
Triclinic, $[P \overline 1]$
a = 7.0150 (14) Å
b = 9.4166 (19) Å
c = 10.020 (2) Å
α = 74.69 (3)°
β = 88.95 (3)°
γ = 77.89 (3)°
V = 623.7 (2) Å³
Z = 1
Mo Kα radiation
μ = 1.12 mm⁻¹
T = 295 K
0.25 × 0.23 × 0.17 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ) T_min = 0.760, T_max = 0.830
6106 measured reflections
2797 independent reflections
2572 reflections with I > 2σ(I)
R_int = 0.028

Refinement

R[F² > 2σ(F²)] = 0.023
wR(F²) = 0.058
S = 1.06
2797 reflections
198 parameters
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.61 e Å⁻³
Δρ_min = −0.35 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1A⋯O4ⁱ	0.76 (4)	2.11 (4)	2.797 (2)	150
O1—H1B⋯O5ⁱⁱ	0.84 (3)	1.93 (3)	2.765 (2)	177
O6—H6A⋯O4	0.83 (3)	2.14 (3)	2.955 (3)	165
O6—H6B⋯O5ⁱⁱⁱ	0.87 (4)	2.04 (4)	2.788 (6)	144
N2—H2A⋯O3^iv	0.79 (3)	1.82 (3)	2.602 (6)	170
Symmetry codes: (i) -x, -y+2, -z; (ii) -x+1, -y+2, -z; (iii) -x+1, -y+2, -z+1; (iv) x, y-1, z+1.

Data collection: RAPID-AUTO (Rigaku, 1998 ); cell refinement: RAPID-AUTO; data reduction: RAPID-AUTO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXL97; software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809051502/om2300sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536809051502/om2300Isup2.hkl

checkCIF report

Comment top

Over the past few decades, much attention has been devoted to the research of novel materials based on metal-organic frameworks (MOFs), motivated by their intriguing structures, new topologies, and potential applications (Batten & Robson, 1998). Since the onset, 4,4'-bipyridine (bpy) has been widely used to construct supramolecular architectures, for it has two potential binding sites which are arranged in a divergent (exo) fashion and has a rigid structure which will help in the predictability of network geometries (Biradha, et al., 2006). In the present contribution, we report a new cadmium complex, {(H₂bpy)[Cd(SO₄)₂(bpy)(H₂O)₂].2H₂O}_n, which is isostructural with the previously reported complex {(H₂bpy)[Mn(SO₄)₂(bpy)(H₂O)₂].2H₂O}_n (Fan & Zhu, 2005).

As shown in Fig. 1, the structure consists of {[Cd(SO₄)₂(bpy)(H₂O)₂)]^2-}_n complex anionic chains, 4,4'-bipyridinium dications and hydrate molecules. The unique Cd atom is coordinated in a slightly distorted octahdedral environment by two N atoms from two bridging 4,4'-bipyridine ligands, two O atoms from two sulfate ligands and two O atoms from two water ligands with Cd—O = 2.282 (1) Å, 2.332 (2) Å and Cd—N = 2.356 (2) Å. The Cd ions are bridged by bpy ligands to give linear –Cd-bpy-Cd- chains, in which the neighbouring cadmium ions are seperated by 11.80 Å. Each sulfate anion acts as a monodentate ligand, and through intra- and intermolecular hydrogen bond interactions with coordinating H₂O ligands, hydrate molecules and 4,4'-bipyridinium dications to form the three-dimensional network (d(O···O) = 2.765–2.955 Å and d(O···N) = 2.602 Å) (Fig.2 and Table 1). The 4,4'-bipyridinium dications with the neighboring bpy in the one-dimensional chains form π-π stacking interactions with a distance of about 3.42 Å.

Related literature top

For background to the structures, topologies and potential applications of metal-organic frameworks, see: Batten & Robson (1998). For the use of 4,4'-bipyridine (bpy) in the construction of supramolecular architectures, see: Biradha et al. (2006). For the isostructural complex {(H₂bpy)[Mn(SO₄)₂(bpy)(H₂O)₂].2H₂O}_n, see: Fan & Zhu (2005).

Experimental top

0.156 g (1 mmol) 4,4'-bipyridine and 0.151 g (1 mmol) DL-mercaptosuccinic acid were dissolved with stirring in aqueous methanol (20 ml, 1:1 v/v). A total of 0.256 g (1 mmol) CdSO₄.8/3H₂O was added to the above solution to obtain a cloudy solution (pH = 3.74), which was filtered. The resulting colorless filtrate was maintained at room temperature and afforded colorless crystals two week later by slow evaporation (yield 18% based on the initial CdSO₄.8/3H₂O input).

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO (Rigaku, 1998); data reduction: RAPID-AUTO (Rigaku, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXL97 (Sheldrick, 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

	Fig. 1. View of the title compound with displacement ellipsoids drawn at the 40% probability level. [Symmetry code: #1 = -x + 1, -y + 2, -z + 1; #2 = -x, -y + 1, -z + 1; #3 = -x + 1, -y + 1, -z + 1]
	Fig. 2. A perspective view of the crystal structure, with hydrogen bonds shown as dashed lines. H atoms not involved in hydrogen bonds have been omitted for clarity.

catena-Poly[4,4'-bipyridinium [[diaquadisulfatocadmium(II)]-µ-4,4'- bipyridine-κ²N:N'] dihydrate] top

Crystal data top

(C₁₀H₁₀N₂)[Cd(SO₄)₂(C₁₀H₈N₂)(H₂O)₂]·2H₂O	Z = 1
M_r = 690.97	F(000) = 350
Triclinic, P1	D_x = 1.840 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.0150 (14) Å	Cell parameters from 5820 reflections
b = 9.4166 (19) Å	θ = 3.4–27.5°
c = 10.020 (2) Å	µ = 1.12 mm⁻¹
α = 74.69 (3)°	T = 295 K
β = 88.95 (3)°	Block, light-yellow
γ = 77.89 (3)°	0.25 × 0.23 × 0.17 mm
V = 623.7 (2) Å³

Data collection top

Rigaku R-AXIS RAPID diffractometer	2797 independent reflections
Radiation source: fine-focus sealed tube	2572 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.028
ω scans	θ_max = 27.5°, θ_min = 3.4°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −8→9
T_min = 0.760, T_max = 0.830	k = −12→12
6106 measured reflections	l = −12→12

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.023	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.058	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	w = 1/[σ²(F_o²) + (0.0368P)²] where P = (F_o² + 2F_c²)/3
2797 reflections	(Δ/σ)_max < 0.001
198 parameters	Δρ_max = 0.61 e Å⁻³
0 restraints	Δρ_min = −0.35 e Å⁻³

Crystal data top

(C₁₀H₁₀N₂)[Cd(SO₄)₂(C₁₀H₈N₂)(H₂O)₂]·2H₂O	γ = 77.89 (3)°
M_r = 690.97	V = 623.7 (2) Å³
Triclinic, P1	Z = 1
a = 7.0150 (14) Å	Mo Kα radiation
b = 9.4166 (19) Å	µ = 1.12 mm⁻¹
c = 10.020 (2) Å	T = 295 K
α = 74.69 (3)°	0.25 × 0.23 × 0.17 mm
β = 88.95 (3)°

Data collection top

Rigaku R-AXIS RAPID diffractometer	2797 independent reflections
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	2572 reflections with I > 2σ(I)
T_min = 0.760, T_max = 0.830	R_int = 0.028
6106 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.023	0 restraints
wR(F²) = 0.058	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	Δρ_max = 0.61 e Å⁻³
2797 reflections	Δρ_min = −0.35 e Å⁻³
198 parameters

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

	x	y	z	U_iso*/U_eq
Cd1	0.0000	1.0000	0.0000	0.01975 (7)
S1	0.29197 (7)	1.15768 (5)	0.17257 (4)	0.02264 (11)
O1	0.1945 (2)	0.84005 (18)	−0.11454 (17)	0.0314 (3)
H1A	0.136 (6)	0.833 (4)	−0.175 (4)	0.088 (14)*
H1B	0.290 (4)	0.868 (3)	−0.157 (3)	0.043 (8)*
O2	0.2561 (2)	1.08582 (18)	0.06347 (15)	0.0317 (3)
O3	0.3055 (3)	1.31472 (19)	0.10627 (17)	0.0436 (4)
O4	0.1344 (2)	1.15595 (19)	0.27022 (15)	0.0368 (4)
O5	0.4799 (2)	1.0756 (2)	0.24417 (17)	0.0450 (4)
N1	0.0296 (2)	0.79779 (18)	0.20108 (16)	0.0239 (3)
C1	0.0538 (3)	0.6552 (2)	0.19390 (19)	0.0256 (4)
H1	0.0766	0.6356	0.1081	0.031*
C2	0.0466 (3)	0.5356 (2)	0.30742 (19)	0.0243 (4)
H2	0.0672	0.4381	0.2975	0.029*
C3	0.0080 (3)	0.56194 (19)	0.43746 (18)	0.0196 (3)
C4	−0.0128 (3)	0.7102 (2)	0.44466 (19)	0.0252 (4)
H4	−0.0347	0.7334	0.5290	0.030*
C5	−0.0006 (3)	0.8224 (2)	0.3263 (2)	0.0262 (4)
H5	−0.0140	0.9204	0.3338	0.031*
N2	0.4126 (3)	0.3731 (2)	0.85093 (18)	0.0298 (4)
H2A	0.385 (4)	0.344 (3)	0.929 (3)	0.036 (7)*
C6	0.4633 (3)	0.2724 (2)	0.7777 (2)	0.0308 (4)
H6	0.4744	0.1704	0.8203	0.037*
C7	0.4990 (3)	0.3192 (2)	0.6395 (2)	0.0284 (4)
H7	0.5344	0.2489	0.5886	0.034*
C8	0.4823 (3)	0.4724 (2)	0.57526 (19)	0.0237 (4)
C9	0.4306 (3)	0.5733 (2)	0.6567 (2)	0.0331 (5)
H9	0.4192	0.6761	0.6178	0.040*
C10	0.3968 (3)	0.5197 (3)	0.7943 (2)	0.0346 (5)
H10	0.3624	0.5867	0.8486	0.041*
O6	0.2828 (3)	0.9313 (2)	0.5331 (2)	0.0477 (4)
H6A	0.257 (5)	1.003 (4)	0.462 (3)	0.057 (9)*
H6B	0.376 (5)	0.956 (4)	0.572 (4)	0.064 (10)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.02501 (11)	0.01778 (10)	0.01586 (10)	−0.00645 (7)	−0.00012 (7)	−0.00191 (7)
S1	0.0271 (2)	0.0267 (3)	0.0168 (2)	−0.01104 (19)	0.00086 (18)	−0.00635 (18)
O1	0.0293 (8)	0.0344 (8)	0.0308 (8)	−0.0052 (6)	0.0055 (7)	−0.0106 (6)
O2	0.0315 (7)	0.0432 (9)	0.0301 (8)	−0.0156 (6)	0.0030 (6)	−0.0206 (7)
O3	0.0716 (11)	0.0319 (9)	0.0338 (8)	−0.0240 (8)	0.0179 (8)	−0.0110 (7)
O4	0.0407 (8)	0.0481 (10)	0.0286 (8)	−0.0195 (7)	0.0121 (7)	−0.0154 (7)
O5	0.0375 (8)	0.0620 (12)	0.0330 (9)	−0.0084 (8)	−0.0092 (7)	−0.0093 (8)
N1	0.0291 (8)	0.0226 (8)	0.0183 (7)	−0.0080 (6)	−0.0015 (7)	−0.0005 (6)
C1	0.0338 (10)	0.0258 (10)	0.0164 (8)	−0.0068 (8)	0.0011 (8)	−0.0037 (7)
C2	0.0332 (10)	0.0187 (9)	0.0208 (9)	−0.0060 (7)	0.0016 (8)	−0.0048 (7)
C3	0.0207 (8)	0.0179 (9)	0.0177 (8)	−0.0035 (7)	−0.0011 (7)	−0.0010 (7)
C4	0.0368 (10)	0.0207 (9)	0.0179 (8)	−0.0064 (8)	0.0009 (8)	−0.0043 (7)
C5	0.0383 (10)	0.0175 (9)	0.0214 (9)	−0.0072 (8)	−0.0010 (8)	−0.0014 (7)
N2	0.0336 (9)	0.0325 (10)	0.0217 (9)	−0.0090 (7)	0.0035 (8)	−0.0031 (7)
C6	0.0348 (10)	0.0243 (10)	0.0290 (10)	−0.0048 (8)	0.0015 (9)	−0.0007 (8)
C7	0.0317 (10)	0.0235 (10)	0.0284 (10)	−0.0033 (8)	0.0025 (8)	−0.0062 (8)
C8	0.0219 (8)	0.0244 (10)	0.0233 (10)	−0.0054 (7)	−0.0015 (7)	−0.0033 (7)
C9	0.0461 (12)	0.0251 (11)	0.0285 (10)	−0.0098 (9)	0.0034 (9)	−0.0059 (8)
C10	0.0466 (12)	0.0317 (11)	0.0279 (10)	−0.0106 (9)	0.0039 (10)	−0.0107 (8)
O6	0.0668 (12)	0.0383 (10)	0.0360 (10)	−0.0107 (9)	−0.0098 (9)	−0.0058 (8)

Geometric parameters (Å, º) top

Cd1—O2	2.2821 (14)	C3—C3ⁱⁱ	1.491 (3)
Cd1—O2ⁱ	2.2821 (14)	C4—C5	1.379 (3)
Cd1—O1	2.3324 (17)	C4—H4	0.9300
Cd1—O1ⁱ	2.3324 (17)	C5—H5	0.9300
Cd1—N1	2.3562 (18)	N2—C10	1.328 (3)
Cd1—N1ⁱ	2.3562 (18)	N2—C6	1.334 (3)
S1—O4	1.4625 (16)	N2—H2A	0.80 (3)
S1—O5	1.4713 (17)	C6—C7	1.373 (3)
S1—O3	1.4747 (17)	C6—H6	0.9300
S1—O2	1.4793 (14)	C7—C8	1.397 (3)
O1—H1A	0.77 (4)	C7—H7	0.9300
O1—H1B	0.84 (3)	C8—C9	1.397 (3)
N1—C1	1.338 (2)	C8—C8ⁱⁱⁱ	1.494 (4)
N1—C5	1.341 (2)	C9—C10	1.373 (3)
C1—C2	1.382 (3)	C9—H9	0.9300
C1—H1	0.9300	C10—H10	0.9300
C2—C3	1.401 (3)	O6—H6A	0.84 (3)
C2—H2	0.9300	O6—H6B	0.87 (3)
C3—C4	1.394 (3)

O2—Cd1—O2ⁱ	180.0	C1—C2—C3	119.64 (17)
O2—Cd1—O1	93.80 (6)	C1—C2—H2	120.2
O2ⁱ—Cd1—O1	86.20 (6)	C3—C2—H2	120.2
O2—Cd1—O1ⁱ	86.20 (6)	C4—C3—C2	116.60 (16)
O2ⁱ—Cd1—O1ⁱ	93.80 (6)	C4—C3—C3ⁱⁱ	121.4 (2)
O1—Cd1—O1ⁱ	180.0	C2—C3—C3ⁱⁱ	122.0 (2)
O2—Cd1—N1	94.14 (6)	C5—C4—C3	119.85 (17)
O2ⁱ—Cd1—N1	85.86 (6)	C5—C4—H4	120.1
O1—Cd1—N1	89.48 (6)	C3—C4—H4	120.1
O1ⁱ—Cd1—N1	90.52 (6)	N1—C5—C4	123.46 (18)
O2—Cd1—N1ⁱ	85.86 (6)	N1—C5—H5	118.3
O2ⁱ—Cd1—N1ⁱ	94.14 (6)	C4—C5—H5	118.3
O1—Cd1—N1ⁱ	90.52 (6)	C10—N2—C6	121.81 (19)
O1ⁱ—Cd1—N1ⁱ	89.48 (6)	C10—N2—H2A	119.5 (19)
N1—Cd1—N1ⁱ	180.00 (7)	C6—N2—H2A	118.6 (19)
O4—S1—O5	110.73 (10)	N2—C6—C7	120.1 (2)
O4—S1—O3	109.56 (11)	N2—C6—H6	119.9
O5—S1—O3	108.83 (11)	C7—C6—H6	119.9
O4—S1—O2	110.99 (9)	C6—C7—C8	120.0 (2)
O5—S1—O2	108.04 (10)	C6—C7—H7	120.0
O3—S1—O2	108.62 (9)	C8—C7—H7	120.0
Cd1—O1—H1A	110 (3)	C7—C8—C9	117.66 (19)
Cd1—O1—H1B	118.7 (19)	C7—C8—C8ⁱⁱⁱ	121.5 (2)
H1A—O1—H1B	100 (3)	C9—C8—C8ⁱⁱⁱ	120.8 (2)
S1—O2—Cd1	134.77 (9)	C10—C9—C8	119.6 (2)
C1—N1—C5	117.01 (16)	C10—C9—H9	120.2
C1—N1—Cd1	121.51 (12)	C8—C9—H9	120.2
C5—N1—Cd1	121.00 (13)	N2—C10—C9	120.7 (2)
N1—C1—C2	123.39 (17)	N2—C10—H10	119.6
N1—C1—H1	118.3	C9—C10—H10	119.6
C2—C1—H1	118.3	H6A—O6—H6B	101 (3)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···O4ⁱ	0.76 (4)	2.11 (4)	2.797 (2)	150
O1—H1B···O5^iv	0.84 (3)	1.93 (3)	2.765 (2)	177
O6—H6A···O4	0.83 (3)	2.14 (3)	2.955 (3)	165
O6—H6B···O5^v	0.87 (4)	2.04 (4)	2.788 (6)	144
N2—H2A···O3^vi	0.79 (3)	1.82 (3)	2.602 (6)	170

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

Experimental details

Crystal data
Chemical formula	(C₁₀H₁₀N₂)[Cd(SO₄)₂(C₁₀H₈N₂)(H₂O)₂]·2H₂O
M_r	690.97
Crystal system, space group	Triclinic, P1
Temperature (K)	295
a, b, c (Å)	7.0150 (14), 9.4166 (19), 10.020 (2)
α, β, γ (°)	74.69 (3), 88.95 (3), 77.89 (3)
V (Å³)	623.7 (2)
Z	1
Radiation type	Mo Kα
µ (mm⁻¹)	1.12
Crystal size (mm)	0.25 × 0.23 × 0.17

Data collection
Diffractometer	Rigaku R-AXIS RAPID diffractometer
Absorption correction	Multi-scan (ABSCOR; Higashi, 1995)
T_min, T_max	0.760, 0.830
No. of measured, independent and observed [I > 2σ(I)] reflections	6106, 2797, 2572
R_int	0.028
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.023, 0.058, 1.06
No. of reflections	2797
No. of parameters	198
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.61, −0.35

Computer programs: RAPID-AUTO (Rigaku, 1998), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···O4ⁱ	0.76 (4)	2.11 (4)	2.797 (2)	150
O1—H1B···O5ⁱⁱ	0.84 (3)	1.93 (3)	2.765 (2)	177
O6—H6A···O4	0.83 (3)	2.14 (3)	2.955 (3)	165
O6—H6B···O5ⁱⁱⁱ	0.87 (4)	2.04 (4)	2.788 (6)	144
N2—H2A···O3^iv	0.79 (3)	1.82 (3)	2.602 (6)	170

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

Acknowledgements

This project was sponsored by the K. C. Wong Magna Fund in Ningbo University and supported by the Science and Technology Department of Zhejiang Province (grant No. 2006 C21105), the Education Department of Zhejiang Province and the Scientific Research Fund of Ningbo University (grant No. XYL08012).

References

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