metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2056-9890

(2,2′-Bi­pyridine-κ2N,N′)bis­­(4-methyl­benzoato-κ2O,O′)zinc(II)

aDepartment of Chemistry, Mudanjiang Normal College, Mudanjiang 157012, People's Republic of China
*Correspondence e-mail: shaoyq60@yahoo.cn

(Received 19 March 2008; accepted 7 April 2008; online 10 April 2008)

In the title compound, [Zn(C8H7O2)2(C10H8N2)], the ZnII atom is coordinated by four O atoms from two chelating 4-methyl­benzoate ligands and two N atoms from a 2,2′-bipyridine ligand, displaying a disordered octahedral geometry. C—H⋯O hydrogen bonds connect the complex mol­ecules into a three-dimensional supra­molecular structure.

Related literature

For related literature, see: Choi & Jeon (2003[Choi, K. Y. & Jeon, Y. M. (2003). Inorg. Chem. Commun. 6, 1294-1296.]); Guilera & Steed (1999[Guilera, G. & Steed, J. W. (1999). Chem. Commun. pp. 1563-1564.]); Tao et al. (2000[Tao, J., Tong, M. L. & Chen, X. M. (2000). J. Chem. Soc. Dalton Trans. pp. 3669-3674.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn(C8H7O2)2(C10H8N2)]

  • Mr = 491.83

  • Triclinic, [P \overline 1]

  • a = 7.6172 (3) Å

  • b = 9.8211 (4) Å

  • c = 15.7595 (6) Å

  • α = 79.130 (2)°

  • β = 83.977 (2)°

  • γ = 79.958 (2)°

  • V = 1136.90 (8) Å3

  • Z = 2

  • Mo Kα radiation

  • μ = 1.12 mm−1

  • T = 296 (2) K

  • 0.26 × 0.23 × 0.21 mm

Data collection
  • Bruker SMART APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.760, Tmax = 0.799

  • 10295 measured reflections

  • 4047 independent reflections

  • 3281 reflections with I > 2σ(I)

  • Rint = 0.030

Refinement
  • R[F2 > 2σ(F2)] = 0.035

  • wR(F2) = 0.087

  • S = 1.02

  • 4047 reflections

  • 300 parameters

  • H-atom parameters constrained

  • Δρmax = 0.22 e Å−3

  • Δρmin = −0.29 e Å−3

Table 1
Selected geometric parameters (Å, °)

N1—Zn1 2.090 (2)
N2—Zn1 2.103 (2)
O1—Zn1 2.509 (2)
O2—Zn1 1.9852 (18)
O3—Zn1 2.0626 (17)
O4—Zn1 2.2058 (19)
O1—Zn1—O2 57.03 (7)
O1—Zn1—O3 95.86 (7)
O1—Zn1—O4 103.13 (7)
O1—Zn1—N1 92.92 (7)
O1—Zn1—N2 155.41 (8)
O2—Zn1—O3 145.10 (8)
O2—Zn1—N1 105.58 (8)
O3—Zn1—N1 96.58 (8)
O2—Zn1—N2 103.12 (8)
O3—Zn1—N2 107.73 (8)
N1—Zn1—N2 77.88 (9)
O2—Zn1—O4 100.93 (7)
O3—Zn1—O4 61.19 (7)
N1—Zn1—O4 153.43 (8)
N2—Zn1—O4 94.46 (8)

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
C3—H3⋯O3i 0.93 2.53 3.293 (3) 139
C4—H4⋯O1i 0.93 2.48 3.385 (3) 165
C14—H14⋯O4ii 0.93 2.51 3.417 (3) 164
C15—H15⋯O2ii 0.93 2.57 3.395 (3) 148
C20—H20⋯O3iii 0.93 2.43 3.189 (4) 139
C23—H23⋯O2iv 0.93 2.56 3.230 (4) 129
Symmetry codes: (i) x-1, y, z; (ii) x+1, y, z; (iii) -x+1, -y+1, -z; (iv) -x, -y+1, -z.

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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

Molecular self-assembly of supramolecular architectures has received much attention during recent decades (Tao et al., 2000; Choi & Jeon, 2003). The structures and properties of such systems depend on the coordination and geometric preferences of both the central metal ions and the bridging building blocks, as well as on the influence of weaker non-covalent interactions, such as hydrogen bonds and ππ stacking interactions. As a building block, 4-methylbenzoate is an excellent candidate for the construction of supramolecular complexes. Recently, we obtained the title mononuclear complex by the reaction of cadmium chloride with 4-methylbenzoic acid and 2,2'-bipyridine in an aqueous solution and its crystal structure is reported here.

As depicted in Fig. 1, the ZnII atom is coordinated by four O atoms from two 4-methylbenzoate ligands and two N atoms from one 2,2'-bipyridine ligand. The 4-methylbenzoates act as bidentate chelating ligands. The Zn1—O1 distance of 2.509 (2) Å (Table 1) suggests a non-negligible interaction, or a chelating coordination mode (Guilera & Steed, 1999). The complex molecules are connected by C—H···O hydrogen bonds (Table 2), resulting in a three-dimensional supramolecular network.

Related literature top

For related literature, see: Choi & Jeon (2003); Guilera & Steed (1999); Tao et al. (2000).

Experimental top

The title compound was prepared by the addition of a stoichiometric amount of cadmium chloride (0.228 g, 1 mmol) and 2,2'-bipyridine (0.156 g, 1 mmol) to a hot aqueous solution (25 ml) of 4-methylbenzoic acid (2.72 g, 20 mmol). The pH value was then adjusted to 7.0 to 8.0 with NaOH (1 mmol). The resulting solution was filtered, and colorless single crystals were obtained at room temperature over several days.

Refinement top

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

Computing details top

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); 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 molecular structure of the title compound. Displacement ellipsoids are drawn at the 30% probability level.
(2,2'-Bipyridine-κ2N,N')bis(4-methylbenzoato- κ2O,O')zinc(II) top
Crystal data top
[Zn(C8H7O2)2(C10H8N2)]Z = 2
Mr = 491.83F(000) = 508
Triclinic, P1Dx = 1.437 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.6172 (3) ÅCell parameters from 3500 reflections
b = 9.8211 (4) Åθ = 1.3–28.0°
c = 15.7595 (6) ŵ = 1.12 mm1
α = 79.130 (2)°T = 296 K
β = 83.977 (2)°Block, colorless
γ = 79.958 (2)°0.26 × 0.23 × 0.21 mm
V = 1136.90 (8) Å3
Data collection top
Bruker SMART APEXII CCD area-detector
diffractometer
4047 independent reflections
Radiation source: fine-focus sealed tube3281 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.030
ϕ and ω scansθmax = 25.2°, θmin = 2.1°
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
h = 99
Tmin = 0.760, Tmax = 0.800k = 1111
10295 measured reflectionsl = 1818
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)] = 0.035Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.087H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0378P)2 + 0.345P]
where P = (Fo2 + 2Fc2)/3
4047 reflections(Δ/σ)max = 0.001
300 parametersΔρmax = 0.22 e Å3
0 restraintsΔρmin = 0.29 e Å3
Crystal data top
[Zn(C8H7O2)2(C10H8N2)]γ = 79.958 (2)°
Mr = 491.83V = 1136.90 (8) Å3
Triclinic, P1Z = 2
a = 7.6172 (3) ÅMo Kα radiation
b = 9.8211 (4) ŵ = 1.12 mm1
c = 15.7595 (6) ÅT = 296 K
α = 79.130 (2)°0.26 × 0.23 × 0.21 mm
β = 83.977 (2)°
Data collection top
Bruker SMART APEXII CCD area-detector
diffractometer
4047 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
3281 reflections with I > 2σ(I)
Tmin = 0.760, Tmax = 0.800Rint = 0.030
10295 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0350 restraints
wR(F2) = 0.087H-atom parameters constrained
S = 1.02Δρmax = 0.22 e Å3
4047 reflectionsΔρmin = 0.29 e Å3
300 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.0510 (3)0.7966 (3)0.21798 (15)0.0470 (6)
C20.2171 (3)0.8766 (2)0.25555 (15)0.0411 (6)
C30.3837 (3)0.8465 (3)0.24538 (16)0.0453 (6)
H30.39250.77840.21300.054*
C40.5367 (3)0.9160 (3)0.28257 (17)0.0487 (6)
H40.64760.89660.27310.058*
C50.5282 (4)1.0141 (3)0.33374 (17)0.0497 (6)
C60.3604 (4)1.0445 (3)0.34364 (17)0.0531 (7)
H60.35121.11050.37750.064*
C70.2073 (4)0.9783 (3)0.30400 (16)0.0486 (6)
H70.09701.00230.30990.058*
C80.6941 (4)1.0840 (3)0.3795 (2)0.0725 (9)
H8A0.79711.05150.36500.109*
H8B0.70591.18390.36140.109*
H8C0.68481.06100.44090.109*
C90.3993 (3)0.4970 (3)0.29191 (16)0.0446 (6)
C100.5328 (3)0.4398 (2)0.35701 (15)0.0404 (6)
C110.4819 (4)0.3697 (3)0.43803 (16)0.0455 (6)
H110.36310.35840.45220.055*
C120.6075 (4)0.3164 (3)0.49798 (16)0.0517 (7)
H120.57150.26950.55220.062*
C130.7847 (4)0.3311 (3)0.47934 (17)0.0513 (7)
C140.8342 (4)0.4020 (3)0.39820 (18)0.0566 (7)
H140.95310.41320.38420.068*
C150.7102 (3)0.4562 (3)0.33780 (16)0.0505 (7)
H150.74610.50420.28380.061*
C160.9214 (5)0.2747 (4)0.5456 (2)0.0805 (10)
H16A0.86290.23480.59920.121*
H16B0.97850.34980.55500.121*
H16C1.00960.20380.52470.121*
C170.3103 (4)0.8005 (4)0.0171 (2)0.0748 (9)
H170.30610.86200.05580.090*
C180.3617 (5)0.8439 (5)0.0679 (3)0.1067 (16)
H180.38890.93390.08700.128*
C190.3723 (5)0.7545 (6)0.1234 (3)0.118 (2)
H190.41010.78140.18130.142*
C200.3270 (4)0.6220 (5)0.0949 (2)0.0895 (13)
H200.33280.55960.13310.107*
C210.2722 (3)0.5840 (3)0.00735 (16)0.0585 (8)
C220.2212 (3)0.4456 (3)0.03117 (18)0.0554 (7)
C230.2133 (5)0.3418 (5)0.0157 (2)0.0829 (11)
H230.24050.35650.07530.099*
C240.1654 (5)0.2173 (5)0.0259 (3)0.0984 (15)
H240.15840.14740.00540.118*
C250.1274 (4)0.1953 (4)0.1141 (3)0.0843 (11)
H250.09720.11020.14350.101*
C260.1355 (4)0.3035 (3)0.1576 (2)0.0640 (8)
H260.10880.29010.21730.077*
N10.2659 (3)0.6739 (2)0.04704 (14)0.0531 (6)
N20.1801 (3)0.4265 (2)0.11749 (13)0.0491 (5)
O10.0937 (3)0.8418 (2)0.21029 (14)0.0713 (6)
O20.0627 (2)0.68095 (19)0.19582 (11)0.0527 (5)
O30.4440 (2)0.57256 (18)0.22078 (11)0.0525 (5)
O40.2425 (2)0.4705 (2)0.30517 (12)0.0621 (5)
Zn10.19260 (4)0.59907 (3)0.176739 (18)0.04603 (12)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0471 (16)0.0555 (18)0.0358 (13)0.0043 (13)0.0065 (11)0.0032 (12)
C20.0455 (15)0.0373 (14)0.0384 (13)0.0039 (11)0.0066 (11)0.0020 (11)
C30.0517 (16)0.0425 (15)0.0434 (14)0.0104 (12)0.0069 (12)0.0071 (12)
C40.0411 (15)0.0476 (16)0.0574 (16)0.0115 (12)0.0029 (12)0.0055 (13)
C50.0540 (17)0.0377 (15)0.0523 (15)0.0027 (12)0.0000 (13)0.0018 (12)
C60.0627 (18)0.0482 (16)0.0517 (16)0.0059 (14)0.0093 (13)0.0170 (13)
C70.0457 (15)0.0478 (16)0.0545 (16)0.0062 (12)0.0113 (12)0.0117 (13)
C80.063 (2)0.064 (2)0.088 (2)0.0048 (16)0.0114 (17)0.0212 (18)
C90.0499 (16)0.0399 (15)0.0460 (15)0.0036 (12)0.0021 (12)0.0166 (12)
C100.0483 (15)0.0362 (14)0.0381 (13)0.0069 (11)0.0014 (11)0.0104 (11)
C110.0501 (15)0.0447 (15)0.0435 (14)0.0115 (12)0.0036 (12)0.0126 (12)
C120.0713 (19)0.0448 (16)0.0380 (14)0.0110 (14)0.0028 (13)0.0072 (12)
C130.0602 (18)0.0475 (16)0.0468 (15)0.0029 (13)0.0108 (13)0.0108 (13)
C140.0454 (16)0.0673 (19)0.0563 (17)0.0121 (14)0.0045 (13)0.0052 (15)
C150.0521 (17)0.0554 (17)0.0419 (14)0.0128 (13)0.0012 (12)0.0005 (12)
C160.083 (2)0.091 (3)0.065 (2)0.002 (2)0.0273 (18)0.0045 (18)
C170.0556 (19)0.076 (2)0.075 (2)0.0037 (16)0.0001 (16)0.0213 (18)
C180.065 (2)0.118 (4)0.095 (3)0.006 (2)0.015 (2)0.054 (3)
C190.071 (3)0.170 (5)0.060 (2)0.035 (3)0.019 (2)0.051 (3)
C200.065 (2)0.137 (4)0.0404 (17)0.038 (2)0.0007 (15)0.005 (2)
C210.0404 (15)0.085 (2)0.0358 (14)0.0209 (15)0.0045 (11)0.0023 (15)
C220.0424 (15)0.071 (2)0.0486 (16)0.0188 (14)0.0149 (12)0.0199 (15)
C230.076 (2)0.099 (3)0.077 (2)0.033 (2)0.0329 (19)0.052 (2)
C240.082 (3)0.091 (3)0.139 (4)0.026 (2)0.050 (3)0.076 (3)
C250.066 (2)0.060 (2)0.134 (4)0.0004 (17)0.028 (2)0.033 (2)
C260.0607 (19)0.0565 (19)0.077 (2)0.0072 (15)0.0087 (15)0.0156 (17)
N10.0446 (13)0.0597 (15)0.0449 (13)0.0013 (11)0.0001 (10)0.0051 (12)
N20.0439 (13)0.0557 (14)0.0469 (13)0.0007 (10)0.0046 (10)0.0127 (11)
O10.0465 (12)0.0895 (16)0.0860 (15)0.0154 (11)0.0004 (10)0.0336 (13)
O20.0564 (12)0.0468 (11)0.0540 (11)0.0047 (9)0.0036 (9)0.0144 (9)
O30.0564 (12)0.0522 (11)0.0483 (10)0.0132 (9)0.0096 (9)0.0004 (9)
O40.0450 (11)0.0880 (15)0.0530 (11)0.0139 (10)0.0029 (9)0.0089 (10)
Zn10.0458 (2)0.0512 (2)0.04008 (18)0.00641 (14)0.00186 (12)0.00715 (13)
Geometric parameters (Å, º) top
C1—O11.244 (3)C16—H16A0.9600
C1—O21.270 (3)C16—H16B0.9600
C1—C21.496 (4)C16—H16C0.9600
C2—C71.383 (3)C17—N11.332 (4)
C2—C31.384 (3)C17—C181.366 (5)
C3—C41.378 (4)C17—H170.9300
C3—H30.9300C18—C191.339 (6)
C4—C51.381 (4)C18—H180.9300
C4—H40.9300C19—C201.384 (6)
C5—C61.393 (4)C19—H190.9300
C5—C81.510 (4)C20—C211.398 (4)
C6—C71.382 (4)C20—H200.9300
C6—H60.9300C21—N11.334 (4)
C7—H70.9300C21—C221.480 (4)
C8—H8A0.9600C22—N21.349 (3)
C8—H8B0.9600C22—C231.380 (4)
C8—H8C0.9600C23—C241.364 (6)
C9—O41.254 (3)C23—H230.9300
C9—O31.272 (3)C24—C251.372 (6)
C9—C101.485 (3)C24—H240.9300
C10—C111.383 (3)C25—C261.383 (4)
C10—C151.384 (3)C25—H250.9300
C11—C121.382 (4)C26—N21.336 (4)
C11—H110.9300C26—H260.9300
C12—C131.377 (4)N1—Zn12.090 (2)
C12—H120.9300N2—Zn12.103 (2)
C13—C141.384 (4)O1—Zn12.509 (2)
C13—C161.514 (4)O2—Zn11.9852 (18)
C14—C151.380 (4)O3—Zn12.0626 (17)
C14—H140.9300O4—Zn12.2058 (19)
C15—H150.9300
O1—C1—O2121.5 (3)N1—C17—C18122.8 (4)
O1—C1—C2120.6 (2)N1—C17—H17118.6
O2—C1—C2117.8 (2)C18—C17—H17118.6
C7—C2—C3118.5 (2)C19—C18—C17118.8 (4)
C7—C2—C1120.8 (2)C19—C18—H18120.6
C3—C2—C1120.7 (2)C17—C18—H18120.6
C4—C3—C2121.0 (2)C18—C19—C20120.2 (4)
C4—C3—H3119.5C18—C19—H19119.9
C2—C3—H3119.5C20—C19—H19119.9
C3—C4—C5121.1 (2)C19—C20—C21118.6 (4)
C3—C4—H4119.5C19—C20—H20120.7
C5—C4—H4119.5C21—C20—H20120.7
C4—C5—C6117.8 (2)N1—C21—C20120.1 (3)
C4—C5—C8121.5 (3)N1—C21—C22116.0 (2)
C6—C5—C8120.7 (3)C20—C21—C22123.8 (3)
C7—C6—C5121.1 (2)N2—C22—C23121.0 (3)
C7—C6—H6119.4N2—C22—C21115.0 (2)
C5—C6—H6119.4C23—C22—C21124.0 (3)
C6—C7—C2120.4 (2)C24—C23—C22119.6 (4)
C6—C7—H7119.8C24—C23—H23120.2
C2—C7—H7119.8C22—C23—H23120.2
C5—C8—H8A109.5C23—C24—C25120.0 (3)
C5—C8—H8B109.5C23—C24—H24120.0
H8A—C8—H8B109.5C25—C24—H24120.0
C5—C8—H8C109.5C24—C25—C26117.9 (4)
H8A—C8—H8C109.5C24—C25—H25121.0
H8B—C8—H8C109.5C26—C25—H25121.0
O4—C9—O3118.9 (2)N2—C26—C25122.6 (3)
O4—C9—C10121.1 (2)N2—C26—H26118.7
O3—C9—C10119.9 (2)C25—C26—H26118.7
C11—C10—C15118.8 (2)C17—N1—C21119.5 (3)
C11—C10—C9120.6 (2)C17—N1—Zn1124.7 (2)
C15—C10—C9120.6 (2)C21—N1—Zn1115.76 (18)
C12—C11—C10120.1 (2)C26—N2—C22118.8 (3)
C12—C11—H11120.0C26—N2—Zn1125.87 (19)
C10—C11—H11120.0C22—N2—Zn1115.32 (19)
C13—C12—C11121.6 (2)C1—O2—Zn1101.97 (16)
C13—C12—H12119.2C9—O3—Zn192.93 (15)
C11—C12—H12119.2C9—O4—Zn186.93 (15)
C12—C13—C14117.9 (2)O1—Zn1—O257.03 (7)
C12—C13—C16121.5 (3)O1—Zn1—O395.86 (7)
C14—C13—C16120.6 (3)O1—Zn1—O4103.13 (7)
C15—C14—C13121.1 (3)O1—Zn1—N192.92 (7)
C15—C14—H14119.4O1—Zn1—N2155.41 (8)
C13—C14—H14119.4O2—Zn1—O3145.10 (8)
C14—C15—C10120.4 (2)O2—Zn1—N1105.58 (8)
C14—C15—H15119.8O3—Zn1—N196.58 (8)
C10—C15—H15119.8O2—Zn1—N2103.12 (8)
C13—C16—H16A109.5O3—Zn1—N2107.73 (8)
C13—C16—H16B109.5N1—Zn1—N277.88 (9)
H16A—C16—H16B109.5O2—Zn1—O4100.93 (7)
C13—C16—H16C109.5O3—Zn1—O461.19 (7)
H16A—C16—H16C109.5N1—Zn1—O4153.43 (8)
H16B—C16—H16C109.5N2—Zn1—O494.46 (8)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C3—H3···O3i0.932.533.293 (3)139
C4—H4···O1i0.932.483.385 (3)165
C14—H14···O4ii0.932.513.417 (3)164
C15—H15···O2ii0.932.573.395 (3)148
C20—H20···O3iii0.932.433.189 (4)139
C23—H23···O2iv0.932.563.230 (4)129
Symmetry codes: (i) x1, y, z; (ii) x+1, y, z; (iii) x+1, y+1, z; (iv) x, y+1, z.

Experimental details

Crystal data
Chemical formula[Zn(C8H7O2)2(C10H8N2)]
Mr491.83
Crystal system, space groupTriclinic, P1
Temperature (K)296
a, b, c (Å)7.6172 (3), 9.8211 (4), 15.7595 (6)
α, β, γ (°)79.130 (2), 83.977 (2), 79.958 (2)
V3)1136.90 (8)
Z2
Radiation typeMo Kα
µ (mm1)1.12
Crystal size (mm)0.26 × 0.23 × 0.21
Data collection
DiffractometerBruker SMART APEXII CCD area-detector
diffractometer
Absorption correctionMulti-scan
(SADABS; Bruker, 2001)
Tmin, Tmax0.760, 0.800
No. of measured, independent and
observed [I > 2σ(I)] reflections
10295, 4047, 3281
Rint0.030
(sin θ/λ)max1)0.599
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.035, 0.087, 1.02
No. of reflections4047
No. of parameters300
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.22, 0.29

Computer programs: APEX2 (Bruker, 2007), SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected geometric parameters (Å, º) top
N1—Zn12.090 (2)O2—Zn11.9852 (18)
N2—Zn12.103 (2)O3—Zn12.0626 (17)
O1—Zn12.509 (2)O4—Zn12.2058 (19)
O1—Zn1—O257.03 (7)O2—Zn1—N2103.12 (8)
O1—Zn1—O395.86 (7)O3—Zn1—N2107.73 (8)
O1—Zn1—O4103.13 (7)N1—Zn1—N277.88 (9)
O1—Zn1—N192.92 (7)O2—Zn1—O4100.93 (7)
O1—Zn1—N2155.41 (8)O3—Zn1—O461.19 (7)
O2—Zn1—O3145.10 (8)N1—Zn1—O4153.43 (8)
O2—Zn1—N1105.58 (8)N2—Zn1—O494.46 (8)
O3—Zn1—N196.58 (8)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C3—H3···O3i0.932.533.293 (3)139
C4—H4···O1i0.932.483.385 (3)165
C14—H14···O4ii0.932.513.417 (3)164
C15—H15···O2ii0.932.573.395 (3)148
C20—H20···O3iii0.932.433.189 (4)139
C23—H23···O2iv0.932.563.230 (4)129
Symmetry codes: (i) x1, y, z; (ii) x+1, y, z; (iii) x+1, y+1, z; (iv) x, y+1, z.
 

Acknowledgements

The author acknowledges Mudanjiang Normal College for supporting this work.

References

First citationBruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.  Google Scholar
First citationBruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.  Google Scholar
First citationChoi, K. Y. & Jeon, Y. M. (2003). Inorg. Chem. Commun. 6, 1294–1296.  Web of Science CSD CrossRef CAS Google Scholar
First citationGuilera, G. & Steed, J. W. (1999). Chem. Commun. pp. 1563–1564.  Web of Science CSD CrossRef CAS Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationTao, J., Tong, M. L. & Chen, X. M. (2000). J. Chem. Soc. Dalton Trans. pp. 3669–3674.  Web of Science CSD CrossRef Google Scholar

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