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Volume 64 
Part 12 
Page m1495  
December 2008  

Received 10 October 2008
Accepted 29 October 2008
Online 8 November 2008

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Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.005 Å
R = 0.040
wR = 0.105
Data-to-parameter ratio = 14.6
Details
Open access

Bis{2-methoxy-6-[(4-methylphenyl)iminiomethyl]phenolato-[kappa]O1}bis(thiocyanato-[kappa]N)zinc(II)

Hua-Qiong Li,a Hui-Duo Xian,a Jian-Feng Liua and Guo-Liang Zhaoa*

aZhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004, People's Republic of China, and, College of Chemistry and Life Science, Zhejiang Normal University, jinhua 321004, Zhejiang, People's Republic of China
Correspondence e-mail: sky53@zjnu.cn

The Schiff base 2-[(4-methylphenyl)iminomethyl]-6-methoxyphenol (HL) forms a complex with a Zn2+ atom and two independent thiocyanate ions, [Zn(NCS)2(C15H15NO2)2], in which two phenolate O atoms the two independent Schiff base ligands are coordinated to thee Zn2+ atom. The protonated imine N atoms are involved in an intramolecular hydrogen bond with the phenoxide group. The Zn atom is also coordinated by two N atoms of two thiocyanate ligands. The coordination environment of the Zn atom is distorted-tetrahedral.

Related literature

For related literature, see: Groeneveld et al. (1982[Groeneveld, L. R., Vos, G., Gorter, S. & Haasnoot, J. G. (1982). Acta Cryst. B38, 2248-2250.]); Iyere et al. (2004[Iyere, P. A., Boadi, W. Y. & Ross, L. (2004). Acta Cryst. E60, m304-m306.]); Li (2007[Li, Y. (2007). Acta Cryst. E63, m2359.]); Maurya et al. (1994[Maurya, R. C., Mishra, D. D., Rathore, R. & Jain, S. (1994). Synth. React. Inorg. Met. Org. Chem. 24, 427-439.]); Sen et al. (2006[Sen, S., Talukder, P., Dey, S. K., Mitra, S., Rosair, G., Hughes, D. L., Yap, G. P. A., Pilet, G., Gramlich, V. & Matsushita, T. (2006). Dalton Trans. pp. 1758-1767.]); Yu et al. (2007[Yu, Y. Y., Zhao, G. L. & Wen, Y. H. (2007). Chin. J. Struct. Chem. 26, 1395-1402.]); Zhang & Wang (2007[Zhang, Q.-W. & Wang, G.-X. (2007). Acta Cryst. E63, m652-m653.]); Zhao et al. (2007[Zhao, G.-L., Shi, X. & Ng, S. W. (2007). Acta Cryst. E63, m267-m268.]); Zhou & Zhao (2007[Zhou, Y.-H. & Zhao, G.-L. (2007). Acta Cryst. E63, m43-m44.]); Zhou et al. (2007[Zhou, M. D., Zhao, J., Li, J., Yue, S., Bao, C. N., Mink, J., Zang, S. L. & Kühn, F. E. (2007). Chem. Eur. J. 13, 158-166.]).

[Scheme 1]

Experimental

Crystal data

  • [Zn(NCS)2(C15H15NO2)2]

  • Mr = 664.13

  • Triclinic, [P \overline 1]

  • a = 9.3830 (2) Å

  • b = 11.7146 (2) Å

  • c = 15.7328 (3) Å

  • [alpha] = 107.7830 (10)°

  • [beta] = 99.4450 (10)°

  • [gamma] = 94.1730 (10)°

  • V = 1610.41 (5) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.93 mm-1

  • T = 296 (2) K

  • 0.23 × 0.18 × 0.07 mm
Data collection

  • Bruker APEXII area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.817, Tmax = 0.940

  • 20903 measured reflections

  • 5672 independent reflections

  • 3679 reflections with I > 2[sigma](I)

  • Rint = 0.034
Refinement

  • R[F2 > 2[sigma](F2)] = 0.040

  • wR(F2) = 0.105

  • S = 1.02

  • 5672 reflections

  • 388 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.30 e Å-3

  • [Delta][rho]min = -0.24 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N3-H3A...O2 0.86 1.91 2.594 (3) 135
N4-H4A...O4 0.86 1.91 2.589 (3) 135

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: AT2651 ).

References

Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Groeneveld, L. R., Vos, G., Gorter, S. & Haasnoot, J. G. (1982). Acta Cryst. B38, 2248-2250.  [CrossRef] [ISI] [details]
Iyere, P. A., Boadi, W. Y. & Ross, L. (2004). Acta Cryst. E60, m304-m306.  [CrossRef] [details]
Li, Y. (2007). Acta Cryst. E63, m2359.  [CSD] [CrossRef] [details]
Maurya, R. C., Mishra, D. D., Rathore, R. & Jain, S. (1994). Synth. React. Inorg. Met. Org. Chem. 24, 427-439.  [CrossRef] [ChemPort]
Sen, S., Talukder, P., Dey, S. K., Mitra, S., Rosair, G., Hughes, D. L., Yap, G. P. A., Pilet, G., Gramlich, V. & Matsushita, T. (2006). Dalton Trans. pp. 1758-1767.  [CSD] [CrossRef]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Yu, Y. Y., Zhao, G. L. & Wen, Y. H. (2007). Chin. J. Struct. Chem. 26, 1395-1402.  [ChemPort]
Zhang, Q.-W. & Wang, G.-X. (2007). Acta Cryst. E63, m652-m653.  [CSD] [CrossRef] [details]
Zhao, G.-L., Shi, X. & Ng, S. W. (2007). Acta Cryst. E63, m267-m268.  [CSD] [CrossRef] [details]
Zhou, Y.-H. & Zhao, G.-L. (2007). Acta Cryst. E63, m43-m44.  [CSD] [CrossRef] [details]
Zhou, M. D., Zhao, J., Li, J., Yue, S., Bao, C. N., Mink, J., Zang, S. L. & Kühn, F. E. (2007). Chem. Eur. J. 13, 158-166.  [CSD] [CrossRef]

Acta Cryst (2008). E64, m1495  [ doi:10.1107/S1600536808035368 ]

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