A dimeric zinc(II) complex: bis­[μ-1,2-bis­(1,2,4-triazol-4-yl)ethane-κ2N1:N1′]bis­[dinitritozinc(II)]

Zhang, R.; Chen, Q.; Gao, J.; Wu, X.

doi:10.1107/S1600536810034203

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 (C-C) = 0.005 Å
R = 0.040
wR = 0.104
Data-to-parameter ratio = 12.5
Details

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

Rongxian Zhang,^a ^* Qiuyun Chen,^a Jing Gao ^b and Xiangyang Wu ^a

^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 Zn^II atom in the title complex, [Zn₂(NO₂)₄(C₆H₈N₆)₂], is distorted octahedral, in which the Zn^II 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 Zn^II atoms are bridged by two organic ligands, forming a centrosymmetric dimer. Weak C-HN and C-HO 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). For a related structure, see: Habit et al. (2009). For hydrogen bonding, see: Mascal (1998).

Experimental

Crystal data

[Zn₂(NO₂)₄(C₆H₈N₆)₂]
M_r = 643.15
Monoclinic, C 2/c
a = 20.491 (4) Å
b = 6.7087 (13) Å
c = 17.289 (4) Å
= 97.125 (5)°
V = 2358.3 (8) Å³
Z = 4
Mo K radiation
= 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, 1997) T_min = 0.364, T_max = 0.678
10892 measured reflections
2144 independent reflections
1945 reflections with I > 2(I)
R_int = 0.036

Refinement

R[F² > 2(F²)] = 0.040
wR(F²) = 0.104
S = 1.06
2144 reflections
172 parameters
H-atom parameters constrained
_max = 0.47 e Å^-3
_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-HA	D-H	HA	DA	D-HA
C1-H1BO2ⁱⁱ	0.97	2.53	3.396 (5)	149
C2-H2AO1ⁱⁱⁱ	0.97	2.49	3.417 (4)	160
C3-H3AO2ⁱⁱ	0.93	2.66	3.412 (5)	139
C6-H6AN2^iv	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); cell refinement: CrystalClear; data reduction: CrystalClear; 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.

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

metal-organic compounds

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