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Volume 67 
Part 5 
Page o1061  
May 2011  

Received 21 March 2011
Accepted 30 March 2011
Online 7 April 2011

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.003 Å
R = 0.067
wR = 0.202
Data-to-parameter ratio = 17.1
Details
Open access

4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium tetrafluoridoborate

aCollege of Food Engineering, RiZhao Polytechnic, RiZhao 276826, People's Republic of China
Correspondence e-mail: lxj818@163.com

In the crystal structure of the title compound, C18H19N2O+·BF4-, bifurcated N-H...(F,F) hydrogen bonds link the protonated 4'-morpholinemethylbiphenyl-2-carbonitrile cations and slightly distorted tetrafluoroborate anions. [pi]-[pi] interactions [centroid-centroid distance = 3.805 (3) Å] help to consolidate the packing. The dihedral angle between the benzene rings in the cation is 57.24 (11)°.

Related literature

For a related structure, see: SiMa (2010[SiMa, W. (2010). Acta Cryst. E66, o2042.]).

[Scheme 1]

Experimental

Crystal data
  • C18H19N2O+·BF4-

  • Mr = 366.16

  • Triclinic, [P \overline 1]

  • a = 9.059 (6) Å

  • b = 9.859 (8) Å

  • c = 10.597 (8) Å

  • [alpha] = 76.324 (14)°

  • [beta] = 83.71 (2)°

  • [gamma] = 86.50 (3)°

  • V = 913.5 (12) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.11 mm-1

  • T = 298 K

  • 0.20 × 0.20 × 0.20 mm

Data collection
  • Rigaku SCXmini diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku, 2005[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.978, Tmax = 0.978

  • 9817 measured reflections

  • 4098 independent reflections

  • 3039 reflections with I > 2[sigma](I)

  • Rint = 0.028

Refinement
  • R[F2 > 2[sigma](F2)] = 0.067

  • wR(F2) = 0.202

  • S = 1.06

  • 4098 reflections

  • 239 parameters

  • 1 restraint

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

  • [Delta][rho]max = 0.49 e Å-3

  • [Delta][rho]min = -0.30 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2...F1 0.90 (2) 2.14 (2) 2.902 (3) 141 (2)
N2-H2...F3 0.90 (2) 2.35 (2) 3.219 (3) 161 (2)

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: JH2276 ).


Acknowledgements

The authors are grateful to RiZhao Polytechnic for support.

References

Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
SiMa, W. (2010). Acta Cryst. E66, o2042.  [CrossRef] [details]


Acta Cryst (2011). E67, o1061  [ doi:10.1107/S160053681101186X ]

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