(IUCr) Diazidobis[2,4-diamino-6-(2-pyridyl)-1,3,5-triazine-[kappa]2N1,N6]zinc(II)

Volume 65
Part 6
Page m622
June 2009

Received 12 April 2009
Accepted 29 April 2009
Online 7 May 2009

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R = 0.045
wR = 0.111
Data-to-parameter ratio = 16.2
Details

Diazidobis[2,4-diamino-6-(2-pyridyl)-1,3,5-triazine-²N¹,N⁶]zinc(II)

Qi-Hua Zhao,^a ^* Ai-Ling Fan,^a Li-Nan Li ^a and Ming-Jing Xie ^a

^aSchool of Chemical Science and Technology, Key Laboratory of Medicinal Chemistry for Natural Resources, Ministry of Education, Yunnan University, Kunming 650091, People's Republic of China
Correspondence e-mail: qhzhao@ynu.edu.cn

In the title mononuclear complex, [Zn(N₃)₂(C₈H₈N₆)₂], the Zn^II atom, lying on a twofold rotation axis, is six-coordinated in a distorted octahedral environment by four N atoms from two 2,4-diamino-6-(2-pyridyl)-1,3,5-triazine ligands and two N atoms from two end-on-coordinated azide ions. N-HN hydrogen bonds between the ligand and azide ion link the complex molecules into a three-dimensional network.

Related literature

For general background to organic-inorganic hybrid complexes with azide ligands, see: Carranza et al. (2008); Gadad et al. (2000, 2004); Sun & Du (2005).

Experimental

Crystal data

[Zn(N₃)₂(C₈H₈N₆)₂]
M_r = 525.86
Monoclinic, C 2/c
a = 18.288 (9) Å
b = 14.231 (7) Å
c = 9.144 (4) Å
= 115.382 (5)°
V = 2150.2 (18) Å³
Z = 4
Mo K radiation
= 1.19 mm^-1
T = 293 K
0.20 × 0.18 × 0.08 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.588, T_max = 0.841 (expected range = 0.636-0.909)
9145 measured reflections
2569 independent reflections
1766 reflections with I > 2(I)
R_int = 0.056

Refinement

R[F² > 2(F²)] = 0.045
wR(F²) = 0.111
S = 1.00
2569 reflections
159 parameters
H-atom parameters constrained
_max = 0.51 e Å^-3
_min = -0.41 e Å^-3

Table 1
Selected bond lengths (Å)

Zn1-N7	2.153 (3)
Zn1-N4	2.166 (2)
Zn1-N1	2.202 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N5-H5AN3ⁱ	0.86	2.19	3.042 (4)	175
N5-H5BN7ⁱⁱ	0.86	2.31	3.060 (4)	147
N6-H6AN9ⁱⁱⁱ	0.86	2.34	3.025 (4)	137
N6-H6BN7^iv	0.86	2.10	2.939 (4)	164
Symmetry codes: (i) $[-x+{\script{3\over 2}}, -y+{\script{1\over 2}}, -z+3]$ ; (ii) $[-x+{\script{3\over 2}}, -y+{\script{1\over 2}}, -z+2]$ ; (iii) $[x, -y+1, z+{\script{1\over 2}}]$ ; (iv) $[-x+1, y, -z+{\script{3\over 2}}]$ .

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; 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: HY2194 ).

Acknowledgements

We acknowledge the National Natural Science Foundation of China (grant No. 20761005) for financial support.

References

Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Carranza, J., Julve, M. & Sletten, J. (2008). Inorg. Chim. Acta, 361, 2499-2507.
Gadad, A. K., Mahajanshetti, C. S., Nimbalkar, S. & Raichurkar, A. (2000). Eur. J. Med. Chem. 35, 853-857.
Gadad, A. K., Noolvi, M. N. & Karpoormath, R. V. (2004). Bioorg. Med. Chem. 12, 5651-5659.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Sun, B.-W. & Du, L. (2005). Acta Cryst. E61, m1099-m1100.

metal-organic compounds

Diazidobis[2,4-diamino-6-(2-pyridyl)-1,3,5-triazine-2N1,N6]zinc(II)