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Volume 68 
Part 1 
Page m9  
January 2012  

Received 19 November 2011
Accepted 29 November 2011
Online 3 December 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.009 Å
R = 0.059
wR = 0.162
Data-to-parameter ratio = 15.8
Details
Open access

Tetrakis(1-allyl-1H-imidazole-[kappa]N3)bis(thiocyanato-[kappa]N)manganese(II)

aCollege of Mechanical Engineering, Qingdao Technological University, Qingdao 266033, People's Republic of China, and bKey Laboratory of Advanced Materials, Qingdao University of Science and Technology, Qingdao 266042, People's Republic of China
Correspondence e-mail: zhaojuanqd@163.com

The structure of the title compound, [Mn(NCS)2(C6H8N2)4], consists of isolated molecules of [Mn(NCS)2(Aim)4] (Aim = 1-allylimidazole), which contain a compressed octahedral MnN6 chromophore (site symmetry [\overline1]). The NCS- anions are trans and four N atoms from the Aim ligands define the equatorial plane. The mean Mn-N(Aim) and Mn-N(NCS) distances are 2.270 and 2.229 Å, respectively. Weak C-H...N interactions contribute to the crystal packing stability.

Related literature

In the corresponding manganese compound [Mn(NCS)2(1-ethylimidazole)4] (Liu, et al., 2008[Liu, F. Q., Li, R. X. & Li, S. X. (2008). Chin. J. Inorg. Chem. 24, 141-144.]), the MnII ions have a distorted octahedral environment.

[Scheme 1]

Experimental

Crystal data
  • [Mn(NCS)2(C6H8N2)4]

  • Mr = 603.70

  • Monoclinic, C 2/c

  • a = 24.564 (5) Å

  • b = 7.2200 (14) Å

  • c = 21.287 (4) Å

  • [beta] = 125.04 (3)°

  • V = 3091.0 (15) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.60 mm-1

  • T = 293 K

  • 0.20 × 0.10 × 0.10 mm

Data collection
  • Bruker SMART 1K CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2004[Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.]) Tmin = 0.890, Tmax = 0.943

  • 2885 measured reflections

  • 2814 independent reflections

  • 1750 reflections with I > 2[sigma](I)

  • Rint = 0.033

Refinement
  • R[F2 > 2[sigma](F2)] = 0.059

  • wR(F2) = 0.162

  • S = 1.01

  • 2814 reflections

  • 178 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.31 e Å-3

  • [Delta][rho]min = -0.34 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C7-H7A...N3 0.93 2.54 2.857 (9) 101
C6-H6A...N4 0.93 2.88 3.355 (8) 113
C5-H5B...N4i 0.93 2.82 3.298 (7) 113
C12-H12A...N5i 0.93 2.72 3.224 (6) 115
Symmetry code: (i) [-x+{\script{1\over 2}}, -y+{\script{3\over 2}}, -z].

Data collection: SMART (Bruker, 2001[Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2001[Bruker (2001). SMART 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 and local programs.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HG5141 ).


Acknowledgements

This work was supported by the NSF of China (No. 20871072) and the Doctoral Science Foundation of Shandong Province (No. 2007BS04023).

References

Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Liu, F. Q., Li, R. X. & Li, S. X. (2008). Chin. J. Inorg. Chem. 24, 141-144.
Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, m9  [ doi:10.1107/S1600536811051282 ]

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