Aqua­bis(2,3-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-olato)nickel(II)

Zhang, H.; Sun, Y.; Chen, X.; Yu, F.; Zou, Z.

doi:10.1107/S1600536809051563

Volume 66
Part 1
Page m5
January 2010

Received 19 November 2009
Accepted 30 November 2009
Online 4 December 2009

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.007 Å
R = 0.049
wR = 0.132
Data-to-parameter ratio = 13.0
Details

Aquabis(2,3-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-olato)nickel(II)

Huaihong Zhang,^a,^b Yu Sun,^a Xiaodan Chen,^a Fei Yu ^a and Zhihong Zou ^a ^*

^aOrdered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China, and ^bSchool of Chemistry and Biology, Yancheng Institute of Technology, Yancheng 224003, People's Republic of China
Correspondence e-mail: chmsunbw@seu.edu.cn

In the crystal structure of the mononuclear title complex, [Ni(C₁₀H₉N₂O₂)₂(H₂O)], the Ni^II ion is five-coordinated in a distorted square-pyramidal geometry by two N atoms and two O atoms from 2,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-9-olate ligands and one O atom from a water molecule. O-HO hydrogen bonds between the coordinated water molecule and the ligand connect adjacent molecules, forming a ribbon parallel to the b axis.

Related literature

For the design and synthesis of self-assembling systems with organic ligands containing N and O donors, see: Wei et al. (2009); Sun et al. (2008); Bayot et al. (2006); Chen et al. (2007). For structures of quinolin-8-ol complexes, see: Wu et al. (2006).

Experimental

Crystal data

[Ni(C₁₀H₉N₂O₂)₂(H₂O)]
M_r = 455.11
Monoclinic, P 2₁ /c
a = 13.4032 (14) Å
b = 12.1313 (12) Å
c = 12.4631 (11) Å
= 99.386 (1)°
V = 1999.3 (3) Å³
Z = 4
Mo K radiation
= 1.01 mm^-1
T = 298 K
0.30 × 0.20 × 0.12 mm

Data collection

Rigaku SCXmini CCD area-detector diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005) T_min = 0.751, T_max = 0.888
10283 measured reflections
3520 independent reflections
2242 reflections with I > 2(I)
R_int = 0.045

Refinement

R[F² > 2(F²)] = 0.049
wR(F²) = 0.132
S = 1.03
3520 reflections
271 parameters
H-atom parameters constrained
_max = 0.41 e Å^-3
_min = -0.41 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-H5AO2ⁱ	0.85	1.83	2.672 (5)	173
O5-H5BO4ⁱⁱ	0.85	1.85	2.669 (5)	162
Symmetry codes: (i) -x+1, -y+1, -z; (ii) -x+2, -y+1, -z+1.

Data collection: CrystalClear (Rigaku, 2005); 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: ZQ2018 ).

References

Bayot, D., Degand, M., Tinant, B. & Devillers, M. (2006). Inorg. Chem. Commun. 359, 1390-1394.
Chen, K., Zhang, Y.-L., Feng, M.-Q. & Liu, C.-H. (2007). Acta Cryst. E63, m2033.
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Sun, Y., Jiang, X.-D. & Li, X.-B. (2008). Acta Cryst. E64, m801.
Wei, Y.-F., Li, Z.-S., Zhang, H.-H. & Wang, Y.-H. (2009). Acta Cryst. E65, m91.
Wu, H., Dong, X.-W., Liu, H.-Y. & Ma, J.-F. (2006). Acta Cryst. E62, m281-m282.

metal-organic compounds