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

Ikhile, M.I.; Bala, M.D.

doi:10.1107/S1600536812044595

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 (C-C) = 0.002 Å
R = 0.044
wR = 0.107
Data-to-parameter ratio = 20.9
Details

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

Monisola I. Ikhile ^a and Muhammad D. Bala ^a ^*

^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-HCl hydrogen bonds link the cations and anions into chains extending along the c axis.

Related literature

For closely related compounds, see: Kocher & Hermann (1997); Denk et al. (2001).

Experimental

Crystal data

C₂₁H₂₉N₂O⁺·Cl^-
M_r = 360.91
Triclinic, $[P \overline 1]$
a = 8.2516 (2) Å
b = 8.8822 (2) Å
c = 14.7524 (4) Å
= 74.857 (2)°
= 86.315 (2)°
= 74.635 (2)°
V = 1006.38 (5) Å³
Z = 2
Mo K radiation
= 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(I)
R_int = 0.062

Refinement

R[F² > 2(F²)] = 0.044
wR(F²) = 0.107
S = 0.90
4853 reflections
232 parameters
H-atom parameters constrained
_max = 0.31 e Å^-3
_min = -0.25 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N2-H2ACl1	0.92	2.23	3.0585 (14)	149
N2-H2BCl1ⁱ	0.92	2.17	3.0531 (14)	161
Symmetry code: (i) -x, -y+1, -z+1.

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); 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.
Kocher, C. & Hermann, W. A. (1997). J. Organomet. Chem. 532, 261-265.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

organic compounds