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Volume 67 
Part 4 
Page o772  
April 2011  

Received 21 January 2011
Accepted 24 February 2011
Online 2 March 2011

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.004 Å
R = 0.058
wR = 0.157
Data-to-parameter ratio = 18.5
Details
Open access

Benzylaminium perchlorate-18-crown-6 (1/1)

aRiZhao Polytechnic, RiZhao 276826, People's Republic of China
Correspondence e-mail: wangwenzhe-11@163.com

In the title compound, C7H10N+·ClO4-·C20H24O6, the protonated benzylamine cation forms a rotator-stator complex with the 18-crown-6 (1,4,7,10,13,16-hexaoxacyclooctadecane) molecule via N-H...O hydrogen bonds. The cations are associated via weak C-H...[pi] interactions, forming chains parallel to [011], while the perclorate anions are located between these chains.

Related literature

For a related structure, see: Ge et al.. (2010[Ge, J.-Z., Fu, X.-Q., Hang, T., Ye, Q. & Xiong, R.-G. (2010). Cryst. Growth Des. 10, 3632-3637.]).

[Scheme 1]

Experimental

Crystal data
  • C7H10N+·ClO4-·C12H24O6

  • Mr = 471.92

  • Triclinic, [P \overline 1]

  • a = 9.3482 (19) Å

  • b = 10.948 (2) Å

  • c = 12.071 (2) Å

  • [alpha] = 76.71 (3)°

  • [beta] = 86.64 (3)°

  • [gamma] = 78.27 (3)°

  • V = 1177.1 (4) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.21 mm-1

  • T = 298 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 = 0.926, Tmax = 0.958

  • 12262 measured reflections

  • 5391 independent reflections

  • 3637 reflections with I > 2[sigma](I)

  • Rint = 0.036

Refinement
  • R[F2 > 2[sigma](F2)] = 0.058

  • wR(F2) = 0.157

  • S = 1.03

  • 5391 reflections

  • 292 parameters

  • 3 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.49 e Å-3

  • [Delta][rho]min = -0.32 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

Cg1 is the centroid of the C14-C19 benzene ring.

D-H...A D-H H...A D...A D-H...A
N1-H1...O4 0.86 (2) 2.18 (2) 3.004 (3) 161 (3)
N1-H2...O2 0.84 (2) 2.11 (2) 2.938 (3) 174 (3)
N1-H3...O1 0.85 (2) 2.47 (2) 2.955 (3) 117 (2)
N1-H3...O6 0.85 (2) 2.07 (2) 2.885 (3) 162 (3)
C13-H13B...Cg1i 0.97 2.99 3.545 (3) 117
Symmetry code: (i) -x+1, -y+1, -z.

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: KP2306 ).


Acknowledgements

The authors are grateful to RiZhao Polytechnic for support.

References

Ge, J.-Z., Fu, X.-Q., Hang, T., Ye, Q. & Xiong, R.-G. (2010). Cryst. Growth Des. 10, 3632-3637.  [ChemPort]
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2011). E67, o772  [ doi:10.1107/S1600536811007082 ]

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