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Volume 67 
Part 10 
Page m1330  
October 2011  

Received 25 August 2011
Accepted 29 August 2011
Online 14 September 2011

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.005 Å
R = 0.044
wR = 0.096
Data-to-parameter ratio = 16.9
Details
Open access

(4-Bromo-2-{[2-(morpholin-4-yl)ethylimino]methyl}phenolato)dioxidovanadium(V)

aDepartment of Chemistry, Huzhou University, Huzhou 313000, People's Republic of China
Correspondence e-mail: chenyi_wang@163.com

In the title mononuclear dioxidovanadium(V) complex, [V(C13H16BrN2O2)O2], the VV atom is five-coordinated by one phenolate O, one imine N and one morpholine N atom of the Schiff base ligand, and by two oxide O atoms, forming a distorted square-pyramidal geometry. In the crystal, weak C-H...O interactions and a short Br...Br contact [3.4597 (12) Å] are observed.

Related literature

For related Schiff base complexes that we have reported recently, see: Wang (2009[Wang, C.-Y. (2009). J. Coord. Chem. 62, 2860-2868.], 2011[Wang, C.-Y. (2011). Acta Cryst. E67, m1085-m1086.]); Wang & Ye (2011[Wang, C.-Y. & Ye, J.-Y. (2011). Russ. J. Coord. Chem. 37, 235-241.]). For similar oxidovanadium(V) complexes, see: Xie et al. (2004[Xie, M.-J., Ping, Y.-S., Zheng, L.-D., Hui, J.-Z. & Peng, C. (2004). Acta Cryst. E60, m1382-m1383.]); Gao et al. (2005[Gao, S., Huo, L.-H., Deng, Z.-P. & Zhao, H. (2005). Acta Cryst. E61, m978-m980.]); Hartung et al. (2007[Hartung, J., Ludwig, A., Svoboda, I. & Fuess, H. (2007). Acta Cryst. E63, m1422-m1423.]); Romanowski et al. (2009[Romanowski, G., Wera, M. & Sikorski, A. (2009). Acta Cryst. E65, m190.]).

[Scheme 1]

Experimental

Crystal data
  • [V(C13H16BrN2O2)O2]

  • Mr = 395.13

  • Monoclinic, P 21 /c

  • a = 21.372 (3) Å

  • b = 6.0892 (15) Å

  • c = 11.372 (3) Å

  • [beta] = 97.248 (2)°

  • V = 1468.0 (5) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 3.41 mm-1

  • T = 298 K

  • 0.17 × 0.13 × 0.13 mm

Data collection
  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.595, Tmax = 0.665

  • 11267 measured reflections

  • 3204 independent reflections

  • 2058 reflections with I > 2[sigma](I)

  • Rint = 0.051

Refinement
  • R[F2 > 2[sigma](F2)] = 0.044

  • wR(F2) = 0.096

  • S = 1.02

  • 3204 reflections

  • 190 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.61 e Å-3

  • [Delta][rho]min = -0.62 e Å-3

Table 1
Selected bond lengths (Å)

V1-O4 1.611 (2)
V1-O3 1.622 (3)
V1-O1 1.907 (3)
V1-N1 2.142 (3)
V1-N2 2.159 (3)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C7-H7...O1i 0.93 2.53 3.241 (4) 133
C11-H11A...O2ii 0.97 2.57 3.479 (5) 156
Symmetry codes: (i) [x, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (ii) [-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: SMART (Bruker, 1998[Bruker (1998). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 1998[Bruker (1998). SMART 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.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS2767 ).


Acknowledgements

This work wassupported financially by the Natural Science Foundation of China (No. 31071856), the Applied Research Project on Nonprofit Technology of Zhejiang Province (No. 2010C32060), the Natural Science Foundation of Zhejiang Province (No. Y407318), and the Technological Innovation Project (Sinfonietta Talent Plan) of college students in Zhejiang Province (Nos. 2010R42525 and 2011R425027).

References

Bruker (1998). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Gao, S., Huo, L.-H., Deng, Z.-P. & Zhao, H. (2005). Acta Cryst. E61, m978-m980.  [CSD] [CrossRef] [details]
Hartung, J., Ludwig, A., Svoboda, I. & Fuess, H. (2007). Acta Cryst. E63, m1422-m1423.  [CSD] [CrossRef] [details]
Romanowski, G., Wera, M. & Sikorski, A. (2009). Acta Cryst. E65, m190.  [CSD] [CrossRef] [details]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wang, C.-Y. (2009). J. Coord. Chem. 62, 2860-2868.  [ISI] [CSD] [CrossRef] [ChemPort]
Wang, C.-Y. (2011). Acta Cryst. E67, m1085-m1086.  [CrossRef] [details]
Wang, C.-Y. & Ye, J.-Y. (2011). Russ. J. Coord. Chem. 37, 235-241.  [CrossRef] [ChemPort]
Xie, M.-J., Ping, Y.-S., Zheng, L.-D., Hui, J.-Z. & Peng, C. (2004). Acta Cryst. E60, m1382-m1383.  [CSD] [CrossRef] [details]


Acta Cryst (2011). E67, m1330  [ doi:10.1107/S1600536811035240 ]

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