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

Zhang, Y.

doi:10.1107/S160053681204994X

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 (C-C) = 0.011 Å
R = 0.079
wR = 0.234
Data-to-parameter ratio = 22.3
Details

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

Yuan Zhang ^a ^*

^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 Fe^III 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-HO hydrogen bonds.

Related literature

For related co-crystals of (18-crown-6)] and anilinium salts, see: Akutagawa et al. (2009).

Experimental

Crystal data

(C₄H₁₂N)[FeCl₄]·C₁₂H₂₄O₆
M_r = 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 radiation
= 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) T_min = 0.665, T_max = 0.820
24682 measured reflections
3160 independent reflections
1649 reflections with I > 2(I)
R_int = 0.090

Refinement

R[F² > 2(F²)] = 0.079
wR(F²) = 0.234
S = 1.04
3160 reflections
142 parameters
H-atom parameters constrained
_max = 0.74 e Å^-3
_min = -0.40 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1AO1	0.90	2.07	2.963 (5)	176
N1-H1BO3	0.90	2.07	2.966 (4)	175

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); 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.
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds