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Volume 68 
Part 4 
Pages m371-m372  
April 2012  

Received 18 February 2012
Accepted 29 February 2012
Online 3 March 2012

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.009 Å
Disorder in main residue
R = 0.054
wR = 0.157
Data-to-parameter ratio = 13.9
Details
Open access

Bis[[mu]-N-(3-methoxy-2-oxidobenzylidene-1:2[kappa]2O2:O2)-L-isoleucinato-2[kappa]2N,O]bis(1,10-phenanthroline-1[kappa]2N,N')dinickel(II) methanol tetrasolvate trihydrate

aSchool of Chemistry and Chemical Engineering, Liaocheng University, Shandong 252059, People's Republic of China
Correspondence e-mail: lilianzhi1963@yahoo.com.cn

In the title complex, [Ni2(C14H17NO4)2(C12H8N2)2]·4CH3OH·3H2O, the two NiII ions are bridged by two Schiff base anions, leading to a dinuclear complex. One NiII ion is six-coordinated by four O atoms and two N atoms of two tridentate Schiff base ligands derived from the condensation of L-isoleucine and o-vanillin. The other NiII ion is six-coordinated by four N atoms of two 1,10-phenanthroline ligands and two O atoms of the Schiff base ligands. In the crystal, intermolecular O-H...O and C-H...O hydrogen bonds lead to a three-dimensional structure. Intramolecular C-H...O hydrogen bonds are also present. One of the methyl groups of the L-isoleucinate moieties is disordered over two sets of sites with an occupancy ratio of 0.687 (19):0.313 (19) and two methanol molecules are half-occupied.

Related literature

For transition metal compounds containing Schiff base ligands, see: Bernal et al. (1999[Bernal, M., García-Vázquez, J. A., Romero, J., Gómez, C., Durán, M. L., Sousa, A., Sousa-Pedrares, A., Rose, D. J., Maresca, K. P. & Zubieta, J. (1999). Inorg. Chim. Acta, 295, 39-47.]); Chattopadhyay et al. (2009[Chattopadhyay, S., Chakraborty, P., Drew, M. G. B. & Ghosh, A. (2009). Inorg. Chim. Acta, 362, 502-508.]); Chohan et al. (1998[Chohan, Z. H., Praveen, M. & Ghaffer, A. (1998). Synth. React. Inorg. Met. Org. Chem. 28, 1673-1687.]).

[Scheme 1]

Experimental

Crystal data
  • [Ni2(C14H17NO4)2(C12H8N2)2]·4CH4O·3H2O

  • Mr = 1186.62

  • Orthorhombic, P 21 21 21

  • a = 14.1827 (15) Å

  • b = 14.3876 (16) Å

  • c = 28.787 (2) Å

  • V = 5874.1 (10) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.71 mm-1

  • T = 298 K

  • 0.50 × 0.36 × 0.35 mm

Data collection
  • Bruker SMART 1000 CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.718, Tmax = 0.789

  • 24389 measured reflections

  • 10254 independent reflections

  • 7528 reflections with I > 2[sigma](I)

  • Rint = 0.058

Refinement
  • R[F2 > 2[sigma](F2)] = 0.054

  • wR(F2) = 0.157

  • S = 1.04

  • 10254 reflections

  • 740 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.48 e Å-3

  • [Delta][rho]min = -0.38 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 4525 Friedel pairs

  • Flack parameter: 0.015 (16)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O9-H9...O1 0.82 1.88 2.693 (7) 169
O10-H10...O5 0.82 1.93 2.659 (7) 147
O11-H11...O10i 0.82 1.81 2.632 (10) 178
O12-H12...O15ii 0.82 1.97 2.75 (2) 158
O13-H13...O15 0.82 2.12 2.94 (3) 179
O14-H14F...O6 0.85 1.91 2.760 (8) 180
O14-H14G...O2i 0.85 2.05 2.901 (8) 180
O15-H15C...O9 0.85 1.85 2.690 (10) 169
O15-H15D...O16 0.85 2.06 2.901 (14) 171
O16-H16C...O11 0.85 1.97 2.817 (13) 178
O16-H16D...O14 0.85 1.95 2.798 (11) 178
C18-H18B...O6 0.97 2.52 3.192 (10) 126
C29-H29...O4 0.93 2.60 3.348 (8) 138
C30-H30...O12iii 0.93 2.57 3.405 (15) 149
C53-H53C...O6 0.96 2.53 3.460 (12) 164
Symmetry codes: (i) [-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (ii) x, y, z+1; (iii) [x-{\script{1\over 2}}, -y+{\script{3\over 2}}, -z+1].

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). 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: HY2519 ).


Acknowledgements

The authors thank the Natural Science Foundation of Shandong Province (No. Y2004B02) for a research grant.

References

Bernal, M., García-Vázquez, J. A., Romero, J., Gómez, C., Durán, M. L., Sousa, A., Sousa-Pedrares, A., Rose, D. J., Maresca, K. P. & Zubieta, J. (1999). Inorg. Chim. Acta, 295, 39-47.  [ISI] [CrossRef] [ChemPort]
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chattopadhyay, S., Chakraborty, P., Drew, M. G. B. & Ghosh, A. (2009). Inorg. Chim. Acta, 362, 502-508.  [ISI] [CSD] [CrossRef] [ChemPort]
Chohan, Z. H., Praveen, M. & Ghaffer, A. (1998). Synth. React. Inorg. Met. Org. Chem. 28, 1673-1687.  [ChemPort]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, m371-m372   [ doi:10.1107/S1600536812008987 ]

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