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Volume 69 
Part 1 
Page m38  
January 2013  

Received 1 December 2012
Accepted 6 December 2012
Online 12 December 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.011 Å
R = 0.079
wR = 0.234
Data-to-parameter ratio = 22.3
Details
Open access

Butan-1-aminium tetrachloridoferrate(III)-18-crown-6 (1/1)

aDepartment of Applied Chemistry, Nanjing College of Chemical Technology, Nanjing 210048, People's Republic of China
Correspondence e-mail: zhangshelley86@Hotmail.com

In the crystal of the title compound, (C4H12N)[FeCl4]·C12H24O6, the butan-1-aminium cation and the tetrachloridoferrate(III) anion have m symmetry: in the cation, the non-H atoms are located on the mirror plane and in the anion, the FeIII atom and two Cl atoms are located on the mirror plane. The 18-crown-6 molecule also has m symmetry, with two O atoms located on the mirror plane. The butan-1-amine cation and the 18-crown-6 molecule are connected by N-H...O hydrogen bonds.

Related literature

For related co-crystals of (18-crown-6)] and anilinium salts, see: Akutagawa et al. (2009[Akutagawa, T., Koshinaka, H., Sato, D., Takeda, S., Noro, S., Takahashi, H., Kumai, R., Tokura, Y. & Nakamura, T. (2009). Nat. Mater. 8, 342-347.]).

[Scheme 1]

Experimental

Crystal data
  • (C4H12N)[FeCl4]·C12H24O6

  • Mr = 536.11

  • Orthorhombic, P n m a

  • a = 9.3109 (19) Å

  • b = 11.431 (2) Å

  • c = 24.718 (5) Å

  • V = 2630.8 (9) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.01 mm-1

  • T = 293 K

  • 0.40 × 0.30 × 0.20 mm

Data collection
  • Rigaku SCXmini diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku, 2005[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.665, Tmax = 0.820

  • 24682 measured reflections

  • 3160 independent reflections

  • 1649 reflections with I > 2[sigma](I)

  • Rint = 0.090

Refinement
  • R[F2 > 2[sigma](F2)] = 0.079

  • wR(F2) = 0.234

  • S = 1.04

  • 3160 reflections

  • 142 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.74 e Å-3

  • [Delta][rho]min = -0.40 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1A...O1 0.90 2.07 2.963 (5) 176
N1-H1B...O3 0.90 2.07 2.966 (4) 175

Data collection: CrystalClear (Rigaku, 2005[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; 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: XU5660 ).


Acknowledgements

The author is grateful to the starter fund of Nanjing College of Chemical Technology.

References

Akutagawa, T., Koshinaka, H., Sato, D., Takeda, S., Noro, S., Takahashi, H., Kumai, R., Tokura, Y. & Nakamura, T. (2009). Nat. Mater. 8, 342-347.  [ISI] [CrossRef] [PubMed] [ChemPort]
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2013). E69, m38  [ doi:10.1107/S160053681204994X ]

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