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catena-Poly[[(acetato-κ2O,O′)(methanol-κO)cadmium(II)]-μ-[1,2-bis­­(1H-benzimid­azol-2-yl)ethane]-κ2N3:N3′-[(acetato-κ2O,O′)(methanol-κO)cadmium(II)]-di-μ-chlorido]

aPharmacy College, Henan University of Traditional Chinese Medicine, Zhengzhou 450008, People's Republic of China, and bDepartment of Chemistry, Zhengzhou University, Zhengzhou 450052, People's Republic of China
*Correspondence e-mail: yanghuaixia888@163.com

(Received 13 April 2010; accepted 22 April 2010; online 28 April 2010)

In the title complex, [Cd2(CH3COO)2Cl2(C16H14N4)(CH3OH)2]n, the CdII atom is six-coordinated by one N atom from a centrosymmetric bridging 1,2-bis­(2,2′-1H-benzimidazol-2-yl)ethane (bbe) ligand, two O atoms from a chelating acetate ligand, one O atom from a methanol mol­ecule and two bridging Cl atoms in a distorted octa­hedral geometry. The CdII atoms are connected alternately by the Cl atoms and bbe ligands, leading to a chain along [001]. These chains are further linked by O—H⋯O hydrogen bonds. Intra­chain N—H⋯O hydrogen bonds are observed.

Related literature

For metal complexes of 1,2-bis­(2,2′-1H-benzimidazole)ethane, see: van Albada et al. (2007[Albada, G. A. van, Mutikainen, I., Turpeinen, U. & Reedijk, J. (2007). J. Chem. Crystallogr. 37, 489-496.]); Shen & Yuan (2006[Shen, X.-P. & Yuan, A.-H. (2006). Acta Cryst. E62, m2849-m2850.]). For related Cd(II) complexes, see: Yam & Lo (1999[Yam, V. W.-W. & Lo, K. K.-W. (1999). Chem. Soc. Rev. 28, 323-334.]); Zhai et al. (2006[Zhai, Q.-G., Wu, X.-Y., Chen, S.-M., Lu, C.-Z. & Yang, W.-B. (2006). Cryst. Growth Des. 6, 2126-2135.]).

[Scheme 1]

Experimental

Crystal data
  • [Cd2(C2H3O2)2Cl2(C16H14N4)(CH4O)2]

  • Mr = 740.20

  • Triclinic, [P \overline 1]

  • a = 7.3983 (15) Å

  • b = 9.6391 (19) Å

  • c = 10.228 (2) Å

  • α = 96.79 (3)°

  • β = 98.15 (3)°

  • γ = 90.45 (3)°

  • V = 716.7 (3) Å3

  • Z = 1

  • Mo Kα radiation

  • μ = 1.71 mm−1

  • T = 293 K

  • 0.18 × 0.16 × 0.13 mm

Data collection
  • Rigaku Saturn CCD diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2006[Rigaku/MSC (2006). CrystalClear. Rigaku/MSC, The Woodlands, Texas, USA.]) Tmin = 0.748, Tmax = 0.808

  • 8831 measured reflections

  • 3396 independent reflections

  • 3143 reflections with I > 2σ(I)

  • Rint = 0.024

Refinement
  • R[F2 > 2σ(F2)] = 0.027

  • wR(F2) = 0.057

  • S = 1.05

  • 3396 reflections

  • 163 parameters

  • H-atom parameters constrained

  • Δρmax = 0.51 e Å−3

  • Δρmin = −0.37 e Å−3

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
N2—H2A⋯O2i 0.86 2.04 2.791 (3) 145
O3—H3B⋯O1ii 0.82 1.83 2.646 (3) 175
Symmetry codes: (i) -x+1, -y+2, -z+1; (ii) -x+2, -y+2, -z+2.

Data collection: CrystalClear (Rigaku/MSC, 2006[Rigaku/MSC (2006). CrystalClear. Rigaku/MSC, The Woodlands, Texas, USA.]); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supporting information


Comment top

1,2-Bis(2,2'-1H-benzimidazole)ethane (bbe) as a multidentate ligand has been extensively used in the construction of metal complexes due to strong coordination ability of the N-donor (van Albada et al., 2007; Shen & Yuan, 2006). In addition, CdII ion is a favorable and fashionable building block or connecting node, not only for it is easy to coordinate to N/O-containing ligands, but also the closed-shell d10 Cd–Cd interaction can often give rise to intriguing supramolecular motifs and properties (Yam & Lo, 1999; Zhai et al., 2006). In this work, through the self-assembly of bbe hydrochloride with cadmium acetate at room temperature, we obtained the title complex.

In the title complex, the CdII ion is six-coordinated by three O atoms from a chelating acetate ligand and a methanol molecule, one N atom from a bbe ligand and two Cl atoms, leading to a distorted octahedral geometry (Fig. 1). The two CdII ions are connected by a pair of bridging Cl atoms, yielding a Cd2Cl2 binuclear unit with a Cd···Cd distance of 3.667 (1) Å. The dimers are further linked by bbe ligands to give a one-dimensional chain along [0 0 1] (Fig. 2). The distance between two Cd atoms bridged by the bbe ligand is 7.722 (2) Å. In addition, there are N—H···O hydrogen bonds between bbe and acetate group, and O—H···O hydrogen bonds between methanol molecule and acetate group (Table 1). The linear chains are linked through O—H···O hydrogen bonds.

Related literature top

For metal complexes of 1,2-bis(2,2'-1H-benzimidazole)ethane, see: van Albada et al. (2007); Shen & Yuan (2006). For related Cd(II) complexes, see: Yam & Lo (1999); Zhai et al. (2006).

Experimental top

1,2-Bis(2,2'-1H-benzimidazole)ethane hydrochloride (0.05 mmol) in methanol (6 ml) was added dropwise to an aqueous solution (2 ml) of cadmium acetate (0.05 mmol). The resulting solution was allowed to stand at room temperature. After one week colorless crystals with good quality were obtained from the filtrate and dried in air.

Refinement top

H atoms were positioned geometrically and refined as riding atoms, with C—H = 0.93 (aromatic), 0.97 (CH2) and 0.96 (CH3) Å and O—H = 0.82 Å, and with Uiso(H) = 1.2(1.5 for methyl)Ueq(C, O).

Structure description top

1,2-Bis(2,2'-1H-benzimidazole)ethane (bbe) as a multidentate ligand has been extensively used in the construction of metal complexes due to strong coordination ability of the N-donor (van Albada et al., 2007; Shen & Yuan, 2006). In addition, CdII ion is a favorable and fashionable building block or connecting node, not only for it is easy to coordinate to N/O-containing ligands, but also the closed-shell d10 Cd–Cd interaction can often give rise to intriguing supramolecular motifs and properties (Yam & Lo, 1999; Zhai et al., 2006). In this work, through the self-assembly of bbe hydrochloride with cadmium acetate at room temperature, we obtained the title complex.

In the title complex, the CdII ion is six-coordinated by three O atoms from a chelating acetate ligand and a methanol molecule, one N atom from a bbe ligand and two Cl atoms, leading to a distorted octahedral geometry (Fig. 1). The two CdII ions are connected by a pair of bridging Cl atoms, yielding a Cd2Cl2 binuclear unit with a Cd···Cd distance of 3.667 (1) Å. The dimers are further linked by bbe ligands to give a one-dimensional chain along [0 0 1] (Fig. 2). The distance between two Cd atoms bridged by the bbe ligand is 7.722 (2) Å. In addition, there are N—H···O hydrogen bonds between bbe and acetate group, and O—H···O hydrogen bonds between methanol molecule and acetate group (Table 1). The linear chains are linked through O—H···O hydrogen bonds.

For metal complexes of 1,2-bis(2,2'-1H-benzimidazole)ethane, see: van Albada et al. (2007); Shen & Yuan (2006). For related Cd(II) complexes, see: Yam & Lo (1999); Zhai et al. (2006).

Computing details top

Data collection: CrystalClear (Rigaku/MSC, 2006); cell refinement: CrystalClear (Rigaku/MSC, 2006); data reduction: CrystalClear (Rigaku/MSC, 2006); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The asymmetric unit of the title complex. Displacement ellipsoids are drawn at the 30% probability level. H atoms have been omitted for clarity. [Symmetry codes: (A) -x+1, -y+2, -z+1; (B) -x+1, -y+2, -z+2.]
[Figure 2] Fig. 2. View of the one-dimensional chain in the title complex. [Symmetry codes: (A) -x+1, -y+2, -z+1; (B) -x+1, -y+2, -z+2.]
catena-Poly[[(acetato-κ2O,O')(methanol- κO)cadmium(II)]-µ-[1,2-bis(1H-benzimidazol-2-yl)ethane]- κ2N3:N3'-[(acetato-κ2O,O')(methanol- κO)cadmium(II)]-di-µ-chlorido] top
Crystal data top
[Cd2(C2H3O2)2Cl2(C16H14N4)(CH4O)2]Z = 1
Mr = 740.20F(000) = 366
Triclinic, P1Dx = 1.715 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.3983 (15) ÅCell parameters from 2503 reflections
b = 9.6391 (19) Åθ = 2.0–27.9°
c = 10.228 (2) ŵ = 1.71 mm1
α = 96.79 (3)°T = 293 K
β = 98.15 (3)°Prism, colorless
γ = 90.45 (3)°0.18 × 0.16 × 0.13 mm
V = 716.7 (3) Å3
Data collection top
Rigaku Saturn CCD
diffractometer
3396 independent reflections
Radiation source: fine-focus sealed tube3143 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.024
Detector resolution: 28.5714 pixels mm-1θmax = 27.9°, θmin = 3.1°
ω scansh = 99
Absorption correction: multi-scan
(CrystalClear; Rigaku/MSC, 2006)
k = 1211
Tmin = 0.748, Tmax = 0.808l = 1313
8831 measured reflections
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)] = 0.027Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.057H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0236P)2 + 0.3424P]
where P = (Fo2 + 2Fc2)/3
3396 reflections(Δ/σ)max = 0.001
163 parametersΔρmax = 0.51 e Å3
0 restraintsΔρmin = 0.37 e Å3
Crystal data top
[Cd2(C2H3O2)2Cl2(C16H14N4)(CH4O)2]γ = 90.45 (3)°
Mr = 740.20V = 716.7 (3) Å3
Triclinic, P1Z = 1
a = 7.3983 (15) ÅMo Kα radiation
b = 9.6391 (19) ŵ = 1.71 mm1
c = 10.228 (2) ÅT = 293 K
α = 96.79 (3)°0.18 × 0.16 × 0.13 mm
β = 98.15 (3)°
Data collection top
Rigaku Saturn CCD
diffractometer
3396 independent reflections
Absorption correction: multi-scan
(CrystalClear; Rigaku/MSC, 2006)
3143 reflections with I > 2σ(I)
Tmin = 0.748, Tmax = 0.808Rint = 0.024
8831 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0270 restraints
wR(F2) = 0.057H-atom parameters constrained
S = 1.05Δρmax = 0.51 e Å3
3396 reflectionsΔρmin = 0.37 e Å3
163 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cd10.64998 (2)0.967293 (18)0.872095 (16)0.03484 (6)
Cl10.63872 (9)0.88042 (7)1.09623 (6)0.04316 (14)
N10.4927 (3)0.82344 (19)0.70445 (18)0.0317 (4)
N20.3205 (3)0.7493 (2)0.51282 (19)0.0371 (4)
H2A0.25960.75100.43490.045*
O10.8449 (2)1.1502 (2)0.94761 (18)0.0490 (4)
O20.7646 (3)1.1554 (2)0.73532 (18)0.0539 (5)
O30.8976 (2)0.8247 (2)0.84264 (18)0.0534 (5)
H3B0.97270.83310.91040.064*
C10.4503 (3)0.6812 (2)0.7024 (2)0.0334 (5)
C20.4968 (4)0.5910 (3)0.7977 (3)0.0507 (7)
H2B0.56830.62140.87850.061*
C30.4331 (5)0.4555 (3)0.7678 (4)0.0632 (9)
H3A0.46240.39270.82950.076*
C40.3255 (5)0.4095 (3)0.6473 (4)0.0623 (9)
H4A0.28490.31670.63080.075*
C50.2775 (4)0.4969 (3)0.5522 (3)0.0527 (7)
H5A0.20520.46600.47180.063*
C60.3430 (3)0.6343 (2)0.5826 (2)0.0368 (5)
C70.4119 (3)0.8581 (2)0.5898 (2)0.0309 (4)
C80.4232 (3)0.9973 (2)0.5432 (2)0.0341 (5)
H8A0.44641.06860.61920.041*
H8B0.30761.01660.49170.041*
C90.8471 (3)1.2083 (3)0.8436 (3)0.0405 (5)
C100.9492 (5)1.3457 (3)0.8554 (4)0.0669 (9)
H10A0.93961.37800.76950.100*
H10B1.07541.33370.88860.100*
H10C0.89771.41300.91560.100*
C110.9830 (5)0.8087 (5)0.7288 (3)0.0873 (13)
H11A1.08110.74470.74040.131*
H11B1.03060.89760.71420.131*
H11C0.89600.77270.65340.131*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.03432 (10)0.04266 (11)0.02727 (9)0.00239 (7)0.00436 (7)0.00344 (7)
Cl10.0498 (3)0.0495 (3)0.0348 (3)0.0145 (3)0.0123 (3)0.0158 (3)
N10.0350 (10)0.0313 (9)0.0289 (9)0.0008 (8)0.0022 (8)0.0070 (7)
N20.0423 (11)0.0367 (10)0.0302 (10)0.0059 (9)0.0005 (8)0.0012 (8)
O10.0458 (10)0.0620 (12)0.0364 (9)0.0118 (9)0.0059 (8)0.0099 (8)
O20.0629 (12)0.0590 (12)0.0352 (10)0.0100 (10)0.0075 (9)0.0055 (8)
O30.0368 (10)0.0817 (14)0.0369 (10)0.0127 (9)0.0015 (8)0.0047 (9)
C10.0332 (11)0.0311 (11)0.0380 (12)0.0013 (9)0.0096 (10)0.0074 (9)
C20.0568 (17)0.0436 (14)0.0555 (17)0.0045 (12)0.0074 (13)0.0224 (13)
C30.073 (2)0.0418 (15)0.084 (2)0.0060 (15)0.0231 (18)0.0302 (16)
C40.073 (2)0.0295 (13)0.091 (3)0.0046 (13)0.0337 (19)0.0073 (15)
C50.0550 (17)0.0408 (14)0.0613 (18)0.0101 (12)0.0169 (14)0.0068 (13)
C60.0372 (12)0.0336 (12)0.0405 (13)0.0045 (10)0.0106 (10)0.0018 (10)
C70.0330 (11)0.0317 (11)0.0283 (10)0.0010 (9)0.0056 (9)0.0036 (8)
C80.0411 (13)0.0331 (11)0.0285 (11)0.0027 (10)0.0026 (10)0.0079 (9)
C90.0353 (12)0.0451 (14)0.0392 (13)0.0015 (10)0.0001 (10)0.0041 (11)
C100.063 (2)0.0548 (18)0.079 (2)0.0157 (15)0.0042 (17)0.0111 (16)
C110.059 (2)0.145 (4)0.053 (2)0.023 (2)0.0150 (17)0.017 (2)
Geometric parameters (Å, º) top
Cd1—N12.250 (2)C2—H2B0.9300
Cd1—O12.260 (2)C3—C41.391 (5)
Cd1—O32.3307 (19)C3—H3A0.9300
Cd1—Cl12.5438 (8)C4—C51.373 (4)
Cd1—O22.622 (2)C4—H4A0.9300
Cd1—Cl1i2.6372 (10)C5—C61.391 (3)
Cl1—Cd1i2.6372 (10)C5—H5A0.9300
N1—C71.319 (3)C7—C81.482 (3)
N1—C11.401 (3)C8—C8ii1.539 (4)
N2—C71.349 (3)C8—H8A0.9700
N2—C61.387 (3)C8—H8B0.9700
N2—H2A0.8600C9—C101.503 (4)
O1—C91.262 (3)C10—H10A0.9600
O2—C91.236 (3)C10—H10B0.9600
O3—C111.395 (4)C10—H10C0.9600
O3—H3B0.8200C11—H11A0.9600
C1—C61.387 (3)C11—H11B0.9600
C1—C21.391 (3)C11—H11C0.9600
C2—C31.370 (4)
N1—Cd1—O1151.13 (7)C4—C3—H3A119.2
N1—Cd1—O386.00 (7)C5—C4—C3122.0 (3)
O1—Cd1—O389.72 (7)C5—C4—H4A119.0
N1—Cd1—Cl1111.71 (5)C3—C4—H4A119.0
O1—Cd1—Cl196.76 (5)C4—C5—C6116.2 (3)
O3—Cd1—Cl189.40 (6)C4—C5—H5A121.9
N1—Cd1—O299.39 (6)C6—C5—H5A121.9
O1—Cd1—O252.27 (6)C1—C6—N2105.83 (19)
O3—Cd1—O292.78 (7)C1—C6—C5122.2 (2)
Cl1—Cd1—O2148.90 (5)N2—C6—C5132.0 (2)
N1—Cd1—Cl1i92.23 (6)N1—C7—N2112.48 (19)
O1—Cd1—Cl1i92.53 (6)N1—C7—C8125.8 (2)
O3—Cd1—Cl1i177.71 (5)N2—C7—C8121.7 (2)
Cl1—Cd1—Cl1i89.91 (3)C7—C8—C8ii110.6 (2)
O2—Cd1—Cl1i88.94 (5)C7—C8—H8A109.5
Cd1—Cl1—Cd1i90.09 (3)C8ii—C8—H8A109.5
C7—N1—C1105.53 (18)C7—C8—H8B109.5
C7—N1—Cd1126.73 (15)C8ii—C8—H8B109.5
C1—N1—Cd1127.64 (15)H8A—C8—H8B108.1
C7—N2—C6107.29 (19)O2—C9—O1121.1 (2)
C7—N2—H2A126.4O2—C9—C10120.8 (3)
C6—N2—H2A126.4O1—C9—C10118.1 (2)
C9—O1—Cd1101.50 (15)C9—C10—H10A109.5
C9—O2—Cd184.98 (16)C9—C10—H10B109.5
C11—O3—Cd1125.0 (2)H10A—C10—H10B109.5
C11—O3—H3B111.3C9—C10—H10C109.5
Cd1—O3—H3B110.3H10A—C10—H10C109.5
C6—C1—C2120.6 (2)H10B—C10—H10C109.5
C6—C1—N1108.9 (2)O3—C11—H11A109.5
C2—C1—N1130.5 (2)O3—C11—H11B109.5
C3—C2—C1117.3 (3)H11A—C11—H11B109.5
C3—C2—H2B121.3O3—C11—H11C109.5
C1—C2—H2B121.3H11A—C11—H11C109.5
C2—C3—C4121.6 (3)H11B—C11—H11C109.5
C2—C3—H3A119.2
N1—Cd1—Cl1—Cd1i92.37 (6)C7—N1—C1—C60.3 (3)
O1—Cd1—Cl1—Cd1i92.53 (6)Cd1—N1—C1—C6176.73 (15)
O3—Cd1—Cl1—Cd1i177.82 (5)C7—N1—C1—C2178.9 (3)
O2—Cd1—Cl1—Cd1i87.79 (10)Cd1—N1—C1—C22.5 (4)
Cl1i—Cd1—Cl1—Cd1i0.0C6—C1—C2—C30.2 (4)
O1—Cd1—N1—C738.2 (3)N1—C1—C2—C3179.4 (3)
O3—Cd1—N1—C7120.30 (19)C1—C2—C3—C40.2 (5)
Cl1—Cd1—N1—C7151.94 (17)C2—C3—C4—C50.0 (5)
O2—Cd1—N1—C728.1 (2)C3—C4—C5—C60.2 (4)
Cl1i—Cd1—N1—C761.15 (19)C2—C1—C6—N2179.1 (2)
O1—Cd1—N1—C1146.09 (18)N1—C1—C6—N20.2 (3)
O3—Cd1—N1—C163.97 (19)C2—C1—C6—C50.0 (4)
Cl1—Cd1—N1—C123.78 (19)N1—C1—C6—C5179.3 (2)
O2—Cd1—N1—C1156.13 (18)C7—N2—C6—C10.1 (3)
Cl1i—Cd1—N1—C1114.58 (18)C7—N2—C6—C5179.0 (3)
N1—Cd1—O1—C914.9 (3)C4—C5—C6—C10.2 (4)
O3—Cd1—O1—C996.11 (17)C4—C5—C6—N2179.0 (3)
Cl1—Cd1—O1—C9174.53 (16)C1—N1—C7—N20.2 (3)
O2—Cd1—O1—C92.38 (15)Cd1—N1—C7—N2176.73 (14)
Cl1i—Cd1—O1—C984.32 (16)C1—N1—C7—C8177.4 (2)
N1—Cd1—O2—C9176.28 (15)Cd1—N1—C7—C86.1 (3)
O1—Cd1—O2—C92.39 (15)C6—N2—C7—N10.1 (3)
O3—Cd1—O2—C989.88 (16)C6—N2—C7—C8177.4 (2)
Cl1—Cd1—O2—C93.6 (2)N1—C7—C8—C8ii94.0 (3)
Cl1i—Cd1—O2—C991.64 (16)N2—C7—C8—C8ii82.9 (3)
N1—Cd1—O3—C1164.7 (3)Cd1—O2—C9—O13.9 (2)
O1—Cd1—O3—C1186.7 (3)Cd1—O2—C9—C10174.6 (3)
Cl1—Cd1—O3—C11176.5 (3)Cd1—O1—C9—O24.7 (3)
O2—Cd1—O3—C1134.5 (3)Cd1—O1—C9—C10173.9 (2)
Symmetry codes: (i) x+1, y+2, z+2; (ii) x+1, y+2, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2A···O2ii0.862.042.791 (3)145
O3—H3B···O1iii0.821.832.646 (3)175
Symmetry codes: (ii) x+1, y+2, z+1; (iii) x+2, y+2, z+2.

Experimental details

Crystal data
Chemical formula[Cd2(C2H3O2)2Cl2(C16H14N4)(CH4O)2]
Mr740.20
Crystal system, space groupTriclinic, P1
Temperature (K)293
a, b, c (Å)7.3983 (15), 9.6391 (19), 10.228 (2)
α, β, γ (°)96.79 (3), 98.15 (3), 90.45 (3)
V3)716.7 (3)
Z1
Radiation typeMo Kα
µ (mm1)1.71
Crystal size (mm)0.18 × 0.16 × 0.13
Data collection
DiffractometerRigaku Saturn CCD
Absorption correctionMulti-scan
(CrystalClear; Rigaku/MSC, 2006)
Tmin, Tmax0.748, 0.808
No. of measured, independent and
observed [I > 2σ(I)] reflections
8831, 3396, 3143
Rint0.024
(sin θ/λ)max1)0.658
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.027, 0.057, 1.05
No. of reflections3396
No. of parameters163
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.51, 0.37

Computer programs: CrystalClear (Rigaku/MSC, 2006), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2A···O2i0.862.042.791 (3)145
O3—H3B···O1ii0.821.832.646 (3)175
Symmetry codes: (i) x+1, y+2, z+1; (ii) x+2, y+2, z+2.
 

Acknowledgements

The authors thank the Department of Science and Technology of Henan Province for financial support (No. 082102330003) and Professor Hong-Wei Hou of Zhengzhou University for his help.

References

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