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Volume 66 
Part 10 
Page m1208  
October 2010  

Received 12 July 2010
Accepted 25 August 2010
Online 4 September 2010

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.005 Å
R = 0.040
wR = 0.104
Data-to-parameter ratio = 12.5
Details
Open access

A dimeric zinc(II) complex: bis[[mu]-1,2-bis(1,2,4-triazol-4-yl)ethane-[kappa]2N1:N1']bis[dinitritozinc(II)]

aSchool of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013, People's Republic of China, and bSchool of Pharmacy, Jiangsu University, Zhenjiang 212013, People's Republic of China
Correspondence e-mail: rong@ujs.edu.cn

The coordination geometry of the ZnII atom in the title complex, [Zn2(NO2)4(C6H8N6)2], is distorted octahedral, in which the ZnII atom is coordinated by two N atoms from the triazole rings of two symmetry-related 1,2-bis(1,2,4-triazol-4-yl)ethane ligands and four O atoms from two nitrite ligands. Two ZnII atoms are bridged by two organic ligands, forming a centrosymmetric dimer. Weak C-H...N and C-H...O hydrogen bonds play an important role in the intermolecular packing.

Related literature

For background to 1,2,4-triazole and its derivatives, see: Haasnoot (2000[Haasnoot, J. G. (2000). Coord. Chem. Rev. 200-202, 131-185.]). For a related structure, see: Habit et al. (2009[Habit, H. A., Hoffmann, A., Hoppe, H. A., Steinfeld, G. & Janiak, C. (2009). Inorg. Chem. 48, 2166-2180.]). For hydrogen bonding, see: Mascal (1998[Mascal, M. (1998). Chem. Commun. pp. 303-304.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn2(NO2)4(C6H8N6)2]

  • Mr = 643.15

  • Monoclinic, C 2/c

  • a = 20.491 (4) Å

  • b = 6.7087 (13) Å

  • c = 17.289 (4) Å

  • [beta] = 97.125 (5)°

  • V = 2358.3 (8) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 2.11 mm-1

  • T = 293 K

  • 0.60 × 0.20 × 0.20 mm

Data collection
  • Rigaku Mercury CCD diffractometer

  • Absorption correction: multi-scan (Blessing, 1995[Blessing, R. H. (1995). Acta Cryst. A51, 33-38.], 1997[Blessing, R. H. (1997). J. Appl. Cryst. 30, 421-426.]) Tmin = 0.364, Tmax = 0.678

  • 10892 measured reflections

  • 2144 independent reflections

  • 1945 reflections with I > 2[sigma](I)

  • Rint = 0.036

Refinement
  • R[F2 > 2[sigma](F2)] = 0.040

  • wR(F2) = 0.104

  • S = 1.06

  • 2144 reflections

  • 172 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.47 e Å-3

  • [Delta][rho]min = -0.61 e Å-3

Table 1
Selected bond lengths (Å)

Zn1-N4i 2.002 (3)
Zn1-O1 2.031 (3)
Zn1-N1 2.036 (3)
Zn1-O3 2.046 (3)
Zn1-O2 2.477 (3)
Zn1-O4 2.488 (3)
Symmetry code: (i) [-x+{\script{1\over 2}}, -y-{\script{1\over 2}}, -z+2].

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C1-H1B...O2ii 0.97 2.53 3.396 (5) 149
C2-H2A...O1iii 0.97 2.49 3.417 (4) 160
C3-H3A...O2ii 0.93 2.66 3.412 (5) 139
C6-H6A...N2iv 0.93 2.39 3.314 (4) 176
Symmetry codes: (ii) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+2]; (iii) [x-{\script{1\over 2}}, y-{\script{1\over 2}}, z]; (iv) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{3\over 2}}].

Data collection: CrystalClear (Rigaku, 2000[Rigaku (2000). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); 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.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BV2153 ).


References

Blessing, R. H. (1995). Acta Cryst. A51, 33-38.  [CrossRef] [details]
Blessing, R. H. (1997). J. Appl. Cryst. 30, 421-426.  [CrossRef] [ChemPort] [ISI] [details]
Haasnoot, J. G. (2000). Coord. Chem. Rev. 200-202, 131-185.  [ISI] [CrossRef] [ChemPort]
Habit, H. A., Hoffmann, A., Hoppe, H. A., Steinfeld, G. & Janiak, C. (2009). Inorg. Chem. 48, 2166-2180.  [ISI] [PubMed]
Mascal, M. (1998). Chem. Commun. pp. 303-304.  [CrossRef]
Rigaku (2000). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2010). E66, m1208  [ doi:10.1107/S1600536810034203 ]

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