##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
(2,4,6-Trimethylphenyl){2-[N-(2,4,6-
trimethylphenyl)formamido]ethyl}ammonium chloride
;
_chemical_name_common     ?
_chemical_formula_moiety     'C21 H29 N2 O +, Cl -'
_chemical_formula_sum     'C21 H29 Cl N2 O'
_chemical_formula_iupac     'C21 H29 N2 O +, Cl -'
_chemical_formula_weight     360.91
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     8.2516(2)
_cell_length_b     8.8822(2)
_cell_length_c     14.7524(4)
_cell_angle_alpha     74.857(2)
_cell_angle_beta     86.315(2)
_cell_angle_gamma     74.635(2)
_cell_volume     1006.38(5)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     3132
_cell_measurement_theta_min     2.46
_cell_measurement_theta_max     23.96
_cell_measurement_temperature     173(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.36
_exptl_crystal_size_mid     0.21
_exptl_crystal_size_min     0.11
_exptl_crystal_density_diffrn     1.191
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     388
_exptl_absorpt_coefficient_mu     0.201
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_exptl_special_details
;
IR (ATR cm⁻¹): 2918, 2718, 2607, 1669, 1568, 1482, 1446, 1381, 1345, 1306,
1285, 1207, 1193, 1033, 850, 781, 705, 577, 477, 425;
δH (400 MHz, CDCl₃): 1.60 (6H, s, CH₃), 2.16
(12H, m, CH₃), 2.58 (3H, s,
NH₂), 3.76 (2H, s, NCH₂NCHO), 6.83 (3H, s, ArH), 6.88
(2H, s, ArH) and 7.89 p.p.m. (1H, s, NCHO); δC (100 MHz,
CDCl₃): 18.09 (C₆H₂(CH₃)₃), 19.35 (C₆H₂(CH₃)₃), 21.15
(C₆H₂(CH₃)₃), 23.17 (C₆H₂(CH₃)₃), 51.12 (NHCH₂), 52.08
(NCH₂), 128.27, 130.18, 134.72, 135.91, 138.54, 140.21, 145.23 and 160.28
p.p.m. (NCHO); HRMS (ESI), Found, 325.22737 (M⁺ - Cl⁻) Calculated
for C₂₁H₂₉N₂O 325.22799 (M⁺ - Cl⁻).
;
_diffrn_ambient_temperature     173(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker APEXII CCD'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     19610
_diffrn_reflns_av_R_equivalents     0.0622
_diffrn_reflns_av_sigmaI/netI     0.0754
_diffrn_reflns_theta_min     1.43
_diffrn_reflns_theta_max     28.00
_diffrn_reflns_theta_full     28.00
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -19
_diffrn_reflns_limit_l_max     19
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     4853
_reflns_number_gt     2975
_reflns_threshold_expression     I>2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0810
_refine_ls_R_factor_gt     0.0443
_refine_ls_wR_factor_gt     0.0955
_refine_ls_wR_factor_ref     0.1073
_refine_ls_goodness_of_fit_ref     0.903
_refine_ls_restrained_S_all     0.903
_refine_ls_number_reflns     4853
_refine_ls_number_parameters     232
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0478P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.309
_refine_diff_density_min     -0.248
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2005)'
_computing_cell_refinement     'SAINT (Bruker, 2005)'
_computing_data_reduction     'SAINT (Bruker, 2005)'
_computing_structure_solution     'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C1 -0.0762(2) 0.8248(2) 0.13320(12) 0.0263(4) Uani d . 1 1 . .
    C C2 -0.0175(2) 0.9590(2) 0.13117(12) 0.0298(4) Uani d . 1 1 . .
    C C3 -0.1346(2) 1.1060(2) 0.12548(13) 0.0347(5) Uani d . 1 1 . .
    H H3 -0.0958 1.1971 0.1266 0.042 Uiso calc R 1 1 . .
    C C4 -0.3055(2) 1.1251(2) 0.11826(13) 0.0365(5) Uani d . 1 1 . .
    C C5 -0.3594(2) 0.9905(2) 0.11714(13) 0.0373(5) Uani d . 1 1 . .
    H H5 -0.4761 1.0021 0.1104 0.045 Uiso calc R 1 1 . .
    C C6 -0.2486(2) 0.8385(2) 0.12561(12) 0.0318(4) Uani d . 1 1 . .
    C C7 0.1675(2) 0.9497(2) 0.13254(14) 0.0390(5) Uani d . 1 1 . .
    H H7A 0.2107 0.9029 0.1969 0.058 Uiso calc R 1 1 . .
    H H7B 0.1844 1.0584 0.1096 0.058 Uiso calc R 1 1 . .
    H H7C 0.2277 0.8817 0.0920 0.058 Uiso calc R 1 1 . .
    C C8 -0.4291(3) 1.2871(3) 0.11207(17) 0.0573(6) Uani d . 1 1 . .
    H H8A -0.4089 1.3296 0.1641 0.086 Uiso calc R 1 1 . .
    H H8B -0.5439 1.2744 0.1159 0.086 Uiso calc R 1 1 . .
    H H8C -0.4145 1.3622 0.0522 0.086 Uiso calc R 1 1 . .
    C C9 -0.3162(2) 0.6959(2) 0.12768(15) 0.0441(5) Uani d . 1 1 . .
    H H9A -0.2934 0.6669 0.0676 0.066 Uiso calc R 1 1 . .
    H H9B -0.4378 0.7239 0.1383 0.066 Uiso calc R 1 1 . .
    H H9C -0.2616 0.6041 0.1786 0.066 Uiso calc R 1 1 . .
    C C10 0.0609(2) 0.5899(2) 0.07631(14) 0.0392(5) Uani d . 1 1 . .
    H H10 0.0013 0.6435 0.0190 0.047 Uiso calc R 1 1 . .
    C C11 0.1348(2) 0.5881(2) 0.23205(12) 0.0288(4) Uani d . 1 1 . .
    H H11A 0.1508 0.6696 0.2630 0.035 Uiso calc R 1 1 . .
    H H11B 0.2471 0.5234 0.2188 0.035 Uiso calc R 1 1 . .
    C C12 0.0402(2) 0.4789(2) 0.29708(12) 0.0277(4) Uani d . 1 1 . .
    H H12A -0.0680 0.5452 0.3143 0.033 Uiso calc R 1 1 . .
    H H12B 0.0153 0.4042 0.2638 0.033 Uiso calc R 1 1 . .
    C C13 0.2789(2) 0.2444(2) 0.37526(12) 0.0249(4) Uani d . 1 1 . .
    C C14 0.2386(2) 0.1044(2) 0.36930(12) 0.0265(4) Uani d . 1 1 . .
    C C15 0.3711(2) -0.0292(2) 0.36709(12) 0.0320(4) Uani d . 1 1 . .
    H H15 0.3467 -0.1262 0.3634 0.038 Uiso calc R 1 1 . .
    C C16 0.5376(2) -0.0257(2) 0.37002(12) 0.0328(4) Uani d . 1 1 . .
    C C17 0.5706(2) 0.1165(2) 0.37419(13) 0.0345(5) Uani d . 1 1 . .
    H H17 0.6843 0.1205 0.3750 0.041 Uiso calc R 1 1 . .
    C C18 0.4440(2) 0.2546(2) 0.37721(12) 0.0280(4) Uani d . 1 1 . .
    C C19 0.0599(2) 0.0917(2) 0.36649(14) 0.0345(5) Uani d . 1 1 . .
    H H19A -0.0098 0.1503 0.4090 0.052 Uiso calc R 1 1 . .
    H H19B 0.0581 -0.0221 0.3863 0.052 Uiso calc R 1 1 . .
    H H19C 0.0155 0.1386 0.3024 0.052 Uiso calc R 1 1 . .
    C C20 0.6787(2) -0.1744(2) 0.36982(15) 0.0471(6) Uani d . 1 1 . .
    H H20A 0.6388 -0.2712 0.3968 0.071 Uiso calc R 1 1 . .
    H H20B 0.7730 -0.1756 0.4074 0.071 Uiso calc R 1 1 . .
    H H20C 0.7157 -0.1727 0.3052 0.071 Uiso calc R 1 1 . .
    C C21 0.4916(2) 0.4051(2) 0.38237(15) 0.0409(5) Uani d . 1 1 . .
    H H21A 0.6129 0.3795 0.3934 0.061 Uiso calc R 1 1 . .
    H H21B 0.4309 0.4457 0.4340 0.061 Uiso calc R 1 1 . .
    H H21C 0.4620 0.4877 0.3231 0.061 Uiso calc R 1 1 . .
    N N1 0.04243(17) 0.66963(18) 0.14387(10) 0.0289(3) Uani d . 1 1 . .
    N N2 0.13837(16) 0.38311(16) 0.38442(10) 0.0246(3) Uani d . 1 1 . .
    H H2A 0.1811 0.4518 0.4072 0.030 Uiso calc R 1 1 . .
    H H2B 0.0652 0.3452 0.4287 0.030 Uiso calc R 1 1 . .
    O O1 0.14983(17) 0.45239(18) 0.08378(10) 0.0544(4) Uani d . 1 1 . .
    Cl Cl1 0.13717(5) 0.66160(5) 0.47043(3) 0.03312(14) Uani d . 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C1 C2 . 1.394(2) ?
    C1 C6 . 1.404(2) ?
    C1 N1 . 1.440(2) ?
    C2 C3 . 1.389(2) ?
    C2 C7 . 1.508(2) ?
    C3 C4 . 1.383(3) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.385(3) ?
    C4 C8 . 1.511(3) ?
    C5 C6 . 1.396(2) ?
    C5 H5 . 0.9500 ?
    C6 C9 . 1.506(3) ?
    C7 H7A . 0.9800 ?
    C7 H7B . 0.9800 ?
    C7 H7C . 0.9800 ?
    C8 H8A . 0.9800 ?
    C8 H8B . 0.9800 ?
    C8 H8C . 0.9800 ?
    C9 H9A . 0.9800 ?
    C9 H9B . 0.9800 ?
    C9 H9C . 0.9800 ?
    C10 O1 . 1.227(2) ?
    C10 N1 . 1.345(2) ?
    C10 H10 . 0.9500 ?
    C11 N1 . 1.463(2) ?
    C11 C12 . 1.513(2) ?
    C11 H11A . 0.9900 ?
    C11 H11B . 0.9900 ?
    C12 N2 . 1.495(2) ?
    C12 H12A . 0.9900 ?
    C12 H12B . 0.9900 ?
    C13 C18 . 1.392(2) ?
    C13 C14 . 1.394(2) ?
    C13 N2 . 1.4802(19) ?
    C14 C15 . 1.391(2) ?
    C14 C19 . 1.513(2) ?
    C15 C16 . 1.386(2) ?
    C15 H15 . 0.9500 ?
    C16 C17 . 1.378(3) ?
    C16 C20 . 1.512(2) ?
    C17 C18 . 1.393(2) ?
    C17 H17 . 0.9500 ?
    C18 C21 . 1.511(2) ?
    C19 H19A . 0.9800 ?
    C19 H19B . 0.9800 ?
    C19 H19C . 0.9800 ?
    C20 H20A . 0.9800 ?
    C20 H20B . 0.9800 ?
    C20 H20C . 0.9800 ?
    C21 H21A . 0.9800 ?
    C21 H21B . 0.9800 ?
    C21 H21C . 0.9800 ?
    N2 H2A . 0.9200 ?
    N2 H2B . 0.9200 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C2 C1 C6 . . 121.13(16) ?
    C2 C1 N1 . . 119.19(15) ?
    C6 C1 N1 . . 119.69(15) ?
    C3 C2 C1 . . 118.23(16) ?
    C3 C2 C7 . . 119.68(16) ?
    C1 C2 C7 . . 122.08(16) ?
    C4 C3 C2 . . 122.63(18) ?
    C4 C3 H3 . . 118.7 ?
    C2 C3 H3 . . 118.7 ?
    C3 C4 C5 . . 117.69(17) ?
    C3 C4 C8 . . 121.08(19) ?
    C5 C4 C8 . . 121.24(18) ?
    C4 C5 C6 . . 122.44(17) ?
    C4 C5 H5 . . 118.8 ?
    C6 C5 H5 . . 118.8 ?
    C5 C6 C1 . . 117.82(17) ?
    C5 C6 C9 . . 119.69(16) ?
    C1 C6 C9 . . 122.49(17) ?
    C2 C7 H7A . . 109.5 ?
    C2 C7 H7B . . 109.5 ?
    H7A C7 H7B . . 109.5 ?
    C2 C7 H7C . . 109.5 ?
    H7A C7 H7C . . 109.5 ?
    H7B C7 H7C . . 109.5 ?
    C4 C8 H8A . . 109.5 ?
    C4 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    C4 C8 H8C . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
    C6 C9 H9A . . 109.5 ?
    C6 C9 H9B . . 109.5 ?
    H9A C9 H9B . . 109.5 ?
    C6 C9 H9C . . 109.5 ?
    H9A C9 H9C . . 109.5 ?
    H9B C9 H9C . . 109.5 ?
    O1 C10 N1 . . 124.35(18) ?
    O1 C10 H10 . . 117.8 ?
    N1 C10 H10 . . 117.8 ?
    N1 C11 C12 . . 110.66(14) ?
    N1 C11 H11A . . 109.5 ?
    C12 C11 H11A . . 109.5 ?
    N1 C11 H11B . . 109.5 ?
    C12 C11 H11B . . 109.5 ?
    H11A C11 H11B . . 108.1 ?
    N2 C12 C11 . . 111.89(13) ?
    N2 C12 H12A . . 109.2 ?
    C11 C12 H12A . . 109.2 ?
    N2 C12 H12B . . 109.2 ?
    C11 C12 H12B . . 109.2 ?
    H12A C12 H12B . . 107.9 ?
    C18 C13 C14 . . 122.59(15) ?
    C18 C13 N2 . . 119.86(15) ?
    C14 C13 N2 . . 117.49(14) ?
    C15 C14 C13 . . 117.36(15) ?
    C15 C14 C19 . . 119.38(16) ?
    C13 C14 C19 . . 123.25(15) ?
    C16 C15 C14 . . 122.21(17) ?
    C16 C15 H15 . . 118.9 ?
    C14 C15 H15 . . 118.9 ?
    C17 C16 C15 . . 118.06(16) ?
    C17 C16 C20 . . 121.05(17) ?
    C15 C16 C20 . . 120.88(18) ?
    C16 C17 C18 . . 122.75(17) ?
    C16 C17 H17 . . 118.6 ?
    C18 C17 H17 . . 118.6 ?
    C13 C18 C17 . . 117.00(16) ?
    C13 C18 C21 . . 123.79(16) ?
    C17 C18 C21 . . 119.21(16) ?
    C14 C19 H19A . . 109.5 ?
    C14 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    C14 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    C16 C20 H20A . . 109.5 ?
    C16 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 109.5 ?
    C16 C20 H20C . . 109.5 ?
    H20A C20 H20C . . 109.5 ?
    H20B C20 H20C . . 109.5 ?
    C18 C21 H21A . . 109.5 ?
    C18 C21 H21B . . 109.5 ?
    H21A C21 H21B . . 109.5 ?
    C18 C21 H21C . . 109.5 ?
    H21A C21 H21C . . 109.5 ?
    H21B C21 H21C . . 109.5 ?
    C10 N1 C1 . . 121.01(15) ?
    C10 N1 C11 . . 118.12(15) ?
    C1 N1 C11 . . 120.64(14) ?
    C13 N2 C12 . . 116.63(13) ?
    C13 N2 H2A . . 108.1 ?
    C12 N2 H2A . . 108.1 ?
    C13 N2 H2B . . 108.1 ?
    C12 N2 H2B . . 108.1 ?
    H2A N2 H2B . . 107.3 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C6 C1 C2 C3 . . . . 2.7(3) ?
    N1 C1 C2 C3 . . . . -176.89(16) ?
    C6 C1 C2 C7 . . . . -175.73(17) ?
    N1 C1 C2 C7 . . . . 4.6(3) ?
    C1 C2 C3 C4 . . . . -2.5(3) ?
    C7 C2 C3 C4 . . . . 176.02(17) ?
    C2 C3 C4 C5 . . . . 0.3(3) ?
    C2 C3 C4 C8 . . . . -179.90(18) ?
    C3 C4 C5 C6 . . . . 1.8(3) ?
    C8 C4 C5 C6 . . . . -178.02(19) ?
    C4 C5 C6 C1 . . . . -1.6(3) ?
    C4 C5 C6 C9 . . . . 177.59(18) ?
    C2 C1 C6 C5 . . . . -0.8(3) ?
    N1 C1 C6 C5 . . . . 178.83(15) ?
    C2 C1 C6 C9 . . . . -179.92(17) ?
    N1 C1 C6 C9 . . . . -0.3(3) ?
    N1 C11 C12 N2 . . . . 175.09(13) ?
    C18 C13 C14 C15 . . . . 1.2(3) ?
    N2 C13 C14 C15 . . . . -175.77(15) ?
    C18 C13 C14 C19 . . . . -179.60(17) ?
    N2 C13 C14 C19 . . . . 3.4(2) ?
    C13 C14 C15 C16 . . . . -0.4(3) ?
    C19 C14 C15 C16 . . . . -179.61(17) ?
    C14 C15 C16 C17 . . . . -0.8(3) ?
    C14 C15 C16 C20 . . . . 178.54(17) ?
    C15 C16 C17 C18 . . . . 1.2(3) ?
    C20 C16 C17 C18 . . . . -178.12(17) ?
    C14 C13 C18 C17 . . . . -0.8(3) ?
    N2 C13 C18 C17 . . . . 176.08(15) ?
    C14 C13 C18 C21 . . . . 179.17(17) ?
    N2 C13 C18 C21 . . . . -3.9(3) ?
    C16 C17 C18 C13 . . . . -0.4(3) ?
    C16 C17 C18 C21 . . . . 179.60(17) ?
    O1 C10 N1 C1 . . . . -174.15(17) ?
    O1 C10 N1 C11 . . . . 0.4(3) ?
    C2 C1 N1 C10 . . . . -117.52(19) ?
    C6 C1 N1 C10 . . . . 62.9(2) ?
    C2 C1 N1 C11 . . . . 68.1(2) ?
    C6 C1 N1 C11 . . . . -111.52(18) ?
    C12 C11 N1 C10 . . . . -83.4(2) ?
    C12 C11 N1 C1 . . . . 91.09(18) ?
    C18 C13 N2 C12 . . . . 106.18(18) ?
    C14 C13 N2 C12 . . . . -76.74(19) ?
    C11 C12 N2 C13 . . . . -75.89(18) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    N2 H2A Cl1 . 0.92 2.23 3.0585(14) 149.2
    N2 H2B Cl1 2_566 0.92 2.17 3.0531(14) 161.4
data_global
_journal_data_validation_number     ?
_journal_date_recd_electronic     2012-10-21
_journal_date_accepted     2012-10-28
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2012
_journal_volume     68
_journal_issue     12
_journal_page_first     o3263
_journal_page_last     o3263
_journal_paper_category     QO
_journal_paper_doi     10.1107/S1600536812044595
_journal_coeditor_code     XU5637
_publ_contact_author_name
;
Dr Muhammad D. Bala
;
_publ_contact_author_address
; School of Chemistry,
  University of KwaZulu-Natal,
  Westville Campus, Private Bag X54001
  Durban 4000,
  South Africa
;
_publ_contact_author_email     bala@ukzn.ac.za
_publ_contact_author_fax      27312603091
_publ_contact_author_phone      27312602616
_publ_section_title
;\
(2,4,6-Trimethylphenyl){2-[N-(2,4,6-trimethylphenyl)formamido]ethyl}\
ammonium chloride
;
loop_
    _publ_author_name
    _publ_author_address
    'Ikhile, Monisola I.'
; School of Chemistry,
  University of KwaZulu-Natal,
  Westville Campus, Private Bag X54001
  Durban 4000,
  South Africa
;
    'Bala, Muhammad D.'
; School of Chemistry,
  University of KwaZulu-Natal,
  Westville Campus, Private Bag X54001
  Durban 4000,
  South Africa
;
_publ_section_synopsis     .
