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Volume 68 
Part 12 
Page o3263  
December 2012  

Received 21 October 2012
Accepted 28 October 2012
Online 3 November 2012

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.002 Å
R = 0.044
wR = 0.107
Data-to-parameter ratio = 20.9
Details
Open access

(2,4,6-Trimethylphenyl){2-[N-(2,4,6-trimethylphenyl)formamido]ethyl}ammonium chloride

aSchool of Chemistry, University of KwaZulu-Natal, Westville Campus, Private Bag X54001, Durban 4000, South Africa
Correspondence e-mail: bala@ukzn.ac.za

In the title salt, C21H29N2O+·Cl-, the benzene rings form a dihedral angle of 6.13 (1)°. In the crystal, N-H...Cl hydrogen bonds link the cations and anions into chains extending along the c axis.

Related literature

For closely related compounds, see: Kocher & Hermann (1997[Kocher, C. & Hermann, W. A. (1997). J. Organomet. Chem. 532, 261-265.]); Denk et al. (2001[Denk, M. K., Rodezno, J. M., Gupta, S. & Lough, A. J. (2001). J. Organomet. Chem. 617, 242-253.]).

[Scheme 1]

Experimental

Crystal data
  • C21H29N2O+·Cl-

  • Mr = 360.91

  • Triclinic, [P \overline 1]

  • a = 8.2516 (2) Å

  • b = 8.8822 (2) Å

  • c = 14.7524 (4) Å

  • [alpha] = 74.857 (2)°

  • [beta] = 86.315 (2)°

  • [gamma] = 74.635 (2)°

  • V = 1006.38 (5) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.20 mm-1

  • T = 173 K

  • 0.36 × 0.21 × 0.11 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • 19610 measured reflections

  • 4853 independent reflections

  • 2975 reflections with I > 2[sigma](I)

  • Rint = 0.062

Refinement
  • R[F2 > 2[sigma](F2)] = 0.044

  • wR(F2) = 0.107

  • S = 0.90

  • 4853 reflections

  • 232 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.31 e Å-3

  • [Delta][rho]min = -0.25 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2A...Cl1 0.92 2.23 3.0585 (14) 149
N2-H2B...Cl1i 0.92 2.17 3.0531 (14) 161
Symmetry code: (i) -x, -y+1, -z+1.

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). APEX2 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.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5637 ).


Acknowledgements

We thank Dr Manuel Fernandes for the data collection and the University of KwaZulu-Natal for financial support.

References

Bruker (2005). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Denk, M. K., Rodezno, J. M., Gupta, S. & Lough, A. J. (2001). J. Organomet. Chem. 617, 242-253.  [CSD] [CrossRef]
Kocher, C. & Hermann, W. A. (1997). J. Organomet. Chem. 532, 261-265.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, o3263  [ doi:10.1107/S1600536812044595 ]

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