##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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 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. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
N-(3,4-Dimethylphenyl)acetamide
;
_chemical_name_common     ?
_chemical_formula_moiety     'C10 H13 N O'
_chemical_formula_sum     'C10 H13 N O'
_chemical_formula_iupac     'C10 H13 N O'
_chemical_formula_weight     163.21
_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     6.7490(10)
_cell_length_b     14.281(2)
_cell_length_c     15.005(2)
_cell_angle_alpha     85.330(10)
_cell_angle_beta     79.810(10)
_cell_angle_gamma     87.580(10)
_cell_volume     1418.1(3)
_cell_formula_units_Z     6
_cell_measurement_reflns_used     25
_cell_measurement_theta_min     3.11
_cell_measurement_theta_max     22.12
_cell_measurement_temperature     299(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.35
_exptl_crystal_size_mid     0.33
_exptl_crystal_size_min     0.18
_exptl_crystal_density_diffrn     1.147
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     528
_exptl_absorpt_coefficient_mu     0.586
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     299(2)
_diffrn_radiation_type     CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Enraf--Nonius CAD-4'
_diffrn_measurement_method     ω/2θ
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     5528
_diffrn_reflns_av_R_equivalents     0.0436
_diffrn_reflns_av_sigmaI/netI     0.0303
_diffrn_reflns_theta_min     3.00
_diffrn_reflns_theta_max     66.94
_diffrn_reflns_theta_full     66.94
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -8
_diffrn_reflns_limit_h_max     1
_diffrn_reflns_limit_k_min     -17
_diffrn_reflns_limit_k_max     17
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     17
_diffrn_standards_number     3
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     120
_diffrn_standards_decay_%     2.0
_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 > 2sigma(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     5025
_reflns_number_gt     3386
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0955
_refine_ls_R_factor_gt     0.0640
_refine_ls_wR_factor_gt     0.1843
_refine_ls_wR_factor_ref     0.2095
_refine_ls_goodness_of_fit_ref     1.030
_refine_ls_restrained_S_all     1.030
_refine_ls_number_reflns     5025
_refine_ls_number_parameters     344
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.1316P)²+0.1229P] 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     0.256
_refine_diff_density_min     -0.266
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef     0.0022(7)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0181 0.0091
                         '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' 0.0311 0.0180
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0492 0.0322
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CAD-4-PC Version (Enraf--Nonius, 1996)'
_computing_cell_refinement     'CAD-4-PC Version (Enraf--Nonius, 1996)'
_computing_data_reduction     'REDU4 (Stoe & Cie, 1987)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'PLATON (Spek, 2003)'
_computing_publication_material     'SHELXL97 (Sheldrick, 1997)'
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_disorder_assembly
    _atom_site_disorder_group
    O O1 0.6611(4) 0.21887(13) 0.27754(16) 0.0935(7) Uani d . 1 . .
    N N1 0.7204(3) 0.37376(14) 0.26524(16) 0.0647(6) Uani d . 1 . .
    H H1N 0.702(4) 0.428(2) 0.2362(19) 0.078 Uiso d . 1 . .
    C C1 0.8633(4) 0.37519(17) 0.32314(17) 0.0633(6) Uani d . 1 . .
    C C2 1.0021(4) 0.44579(19) 0.3073(2) 0.0713(7) Uani d . 1 . .
    H H2 1.0045 0.4879 0.2565 0.086 Uiso calc R 1 . .
    C C3 1.1384(4) 0.4555(2) 0.3653(2) 0.0794(8) Uani d . 1 . .
    C C4 1.1409(5) 0.3917(3) 0.4390(2) 0.0906(10) Uani d . 1 . .
    C C5 1.0037(6) 0.3211(3) 0.4542(2) 0.0970(10) Uani d . 1 . .
    H H5 1.0053 0.2774 0.5036 0.116 Uiso calc R 1 . .
    C C6 0.8637(5) 0.3128(2) 0.3985(2) 0.0849(9) Uani d . 1 . .
    H H6 0.7702 0.2654 0.4117 0.102 Uiso calc R 1 . .
    C C7 0.6247(4) 0.29887(17) 0.24731(19) 0.0658(6) Uani d . 1 . .
    C C8 0.4682(4) 0.31912(19) 0.1893(2) 0.0778(8) Uani d . 1 . .
    H H8A 0.4651 0.3850 0.1708 0.093 Uiso calc R 1 . .
    H H8B 0.3390 0.3016 0.2232 0.093 Uiso calc R 1 . .
    H H8C 0.4995 0.2838 0.1367 0.093 Uiso calc R 1 . .
    C C9 1.2754(5) 0.5374(3) 0.3480(3) 0.1155(13) Uani d . 1 . .
    H H9A 1.2499 0.5751 0.2951 0.139 Uiso calc R 1 . .
    H H9B 1.4130 0.5149 0.3385 0.139 Uiso calc R 1 . .
    H H9C 1.2511 0.5747 0.3995 0.139 Uiso calc R 1 . .
    C C10 1.2889(7) 0.3980(4) 0.5030(3) 0.1352(18) Uani d . 1 . .
    H H10A 1.4232 0.4007 0.4689 0.162 Uiso calc R 1 . .
    H H10B 1.2785 0.3437 0.5456 0.162 Uiso calc R 1 . .
    H H10C 1.2588 0.4537 0.5353 0.162 Uiso calc R 1 . .
    O O2 0.6415(3) 0.89842(12) 0.17410(15) 0.0810(6) Uani d . 1 . .
    N N2 0.7398(3) 1.02533(14) 0.23505(15) 0.0625(5) Uani d . 1 . .
    H H2N 0.709(4) 1.092(2) 0.2425(18) 0.075 Uiso d . 1 . .
    C C11 0.9017(4) 0.98806(17) 0.27568(18) 0.0613(6) Uani d . 1 . .
    C C12 0.9873(4) 1.04469(19) 0.32918(18) 0.0697(7) Uani d . 1 . .
    H H12 0.9362 1.1057 0.3360 0.084 Uiso calc R 1 . .
    C C13 1.1444(5) 1.0139(2) 0.37231(19) 0.0775(8) Uani d . 1 . .
    C C14 1.2212(4) 0.9219(2) 0.3629(2) 0.0810(8) Uani d . 1 . .
    C C15 1.1404(5) 0.8675(2) 0.3084(3) 0.0908(10) Uani d . 1 . .
    H H15 1.1927 0.8068 0.3009 0.109 Uiso calc R 1 . .
    C C16 0.9848(4) 0.89835(19) 0.2641(2) 0.0822(9) Uani d . 1 . .
    H H16 0.9360 0.8594 0.2267 0.099 Uiso calc R 1 . .
    C C17 0.6230(4) 0.98221(17) 0.18788(17) 0.0617(6) Uani d . 1 . .
    C C18 0.4661(4) 1.04309(19) 0.1511(2) 0.0746(7) Uani d . 1 . .
    H H18A 0.4555 1.1026 0.1774 0.089 Uiso calc R 1 . .
    H H18B 0.3387 1.0130 0.1660 0.089 Uiso calc R 1 . .
    H H18C 0.5031 1.0529 0.0863 0.089 Uiso calc R 1 . .
    C C19 1.2353(6) 1.0776(3) 0.4266(3) 0.1110(12) Uani d . 1 . .
    H H19A 1.1668 1.1379 0.4254 0.133 Uiso calc R 1 . .
    H H19B 1.3752 1.0848 0.4013 0.133 Uiso calc R 1 . .
    H H19C 1.2225 1.0513 0.4882 0.133 Uiso calc R 1 . .
    C C20 1.3884(5) 0.8838(3) 0.4104(3) 0.1128(13) Uani d . 1 . .
    H H20A 1.5045 0.9218 0.3914 0.135 Uiso calc R 1 . .
    H H20B 1.4218 0.8203 0.3953 0.135 Uiso calc R 1 . .
    H H20C 1.3459 0.8849 0.4748 0.135 Uiso calc R 1 . .
    O O3 0.6498(3) 0.55410(11) 0.16267(14) 0.0773(6) Uani d . 1 . .
    N N3 0.5363(3) 0.70443(13) 0.14131(14) 0.0607(5) Uani d . 1 . .
    H H3N 0.555(4) 0.760(2) 0.1545(18) 0.073 Uiso d . 1 . .
    C C21 0.3877(4) 0.69495(15) 0.08863(16) 0.0565(6) Uani d . 1 . .
    C C22 0.2832(4) 0.77608(17) 0.06384(16) 0.0609(6) Uani d . 1 . .
    H H22 0.3169 0.8330 0.0823 0.073 Uiso calc R 1 . .
    C C23 0.1323(4) 0.7758(2) 0.01327(18) 0.0683(7) Uani d . 1 . .
    C C24 0.0808(4) 0.6904(2) -0.0150(2) 0.0764(8) Uani d . 1 . .
    C C25 0.1861(5) 0.6102(2) 0.0097(2) 0.0824(8) Uani d . 1 . .
    H H25 0.1532 0.5533 -0.0092 0.099 Uiso calc R 1 . .
    C C26 0.3366(4) 0.60984(18) 0.0604(2) 0.0723(7) Uani d . 1 . .
    H H26 0.4032 0.5540 0.0756 0.087 Uiso calc R 1 . .
    C C27 0.6556(4) 0.63784(16) 0.17531(16) 0.0600(6) Uani d . 1 . .
    C C28 0.7946(5) 0.67177(19) 0.2314(2) 0.0846(9) Uani d . 1 . .
    H H28A 0.9251 0.6808 0.1947 0.101 Uiso calc R 1 . .
    H H28B 0.8056 0.6261 0.2810 0.101 Uiso calc R 1 . .
    H H28C 0.7430 0.7303 0.2546 0.101 Uiso calc R 1 . .
    C C29 0.0253(5) 0.8664(3) -0.0104(2) 0.0974(10) Uani d . 1 . .
    H H29A -0.1148 0.8630 0.0161 0.117 Uiso calc R 1 . .
    H H29B 0.0386 0.8766 -0.0752 0.117 Uiso calc R 1 . .
    H H29C 0.0836 0.9175 0.0127 0.117 Uiso calc R 1 . .
    C C30 -0.0827(5) 0.6855(3) -0.0706(2) 0.1065(12) Uani d . 1 . .
    H H30A -0.2087 0.7060 -0.0365 0.128 Uiso calc R 1 . .
    H H30B -0.0925 0.6218 -0.0854 0.128 Uiso calc R 1 . .
    H H30C -0.0511 0.7254 -0.1256 0.128 Uiso calc R 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds 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
    O1 C7 . 1.226(3) ?
    N1 C7 . 1.342(3) ?
    N1 C1 . 1.410(3) ?
    N1 H1N . 0.88(3) ?
    C1 C6 . 1.382(4) ?
    C1 C2 . 1.383(4) ?
    C2 C3 . 1.391(4) ?
    C2 H2 . 0.9300 ?
    C3 C4 . 1.376(5) ?
    C3 C9 . 1.500(5) ?
    C4 C5 . 1.376(5) ?
    C4 C10 . 1.514(4) ?
    C5 C6 . 1.382(4) ?
    C5 H5 . 0.9300 ?
    C6 H6 . 0.9300 ?
    C7 C8 . 1.488(4) ?
    C8 H8A . 0.9600 ?
    C8 H8B . 0.9600 ?
    C8 H8C . 0.9600 ?
    C9 H9A . 0.9600 ?
    C9 H9B . 0.9600 ?
    C9 H9C . 0.9600 ?
    C10 H10A . 0.9600 ?
    C10 H10B . 0.9600 ?
    C10 H10C . 0.9600 ?
    O2 C17 . 1.228(3) ?
    N2 C17 . 1.346(3) ?
    N2 C11 . 1.408(3) ?
    N2 H2N . 0.98(3) ?
    C11 C16 . 1.388(4) ?
    C11 C12 . 1.393(4) ?
    C12 C13 . 1.376(4) ?
    C12 H12 . 0.9300 ?
    C13 C14 . 1.401(5) ?
    C13 C19 . 1.487(4) ?
    C14 C15 . 1.366(5) ?
    C14 C20 . 1.499(4) ?
    C15 C16 . 1.378(4) ?
    C15 H15 . 0.9300 ?
    C16 H16 . 0.9300 ?
    C17 C18 . 1.494(4) ?
    C18 H18A . 0.9600 ?
    C18 H18B . 0.9600 ?
    C18 H18C . 0.9600 ?
    C19 H19A . 0.9600 ?
    C19 H19B . 0.9600 ?
    C19 H19C . 0.9600 ?
    C20 H20A . 0.9600 ?
    C20 H20B . 0.9600 ?
    C20 H20C . 0.9600 ?
    O3 C27 . 1.229(3) ?
    N3 C27 . 1.347(3) ?
    N3 C21 . 1.399(3) ?
    N3 H3N . 0.86(3) ?
    C21 C22 . 1.390(3) ?
    C21 C26 . 1.395(3) ?
    C22 C23 . 1.374(4) ?
    C22 H22 . 0.9300 ?
    C23 C24 . 1.400(4) ?
    C23 C29 . 1.503(4) ?
    C24 C25 . 1.382(4) ?
    C24 C30 . 1.504(4) ?
    C25 C26 . 1.372(4) ?
    C25 H25 . 0.9300 ?
    C26 H26 . 0.9300 ?
    C27 C28 . 1.486(4) ?
    C28 H28A . 0.9600 ?
    C28 H28B . 0.9600 ?
    C28 H28C . 0.9600 ?
    C29 H29A . 0.9600 ?
    C29 H29B . 0.9600 ?
    C29 H29C . 0.9600 ?
    C30 H30A . 0.9600 ?
    C30 H30B . 0.9600 ?
    C30 H30C . 0.9600 ?
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
    C7 N1 C1 . . 127.2(2) ?
    C7 N1 H1N . . 119.3(19) ?
    C1 N1 H1N . . 113.3(19) ?
    C6 C1 C2 . . 118.2(3) ?
    C6 C1 N1 . . 123.0(3) ?
    C2 C1 N1 . . 118.6(2) ?
    C1 C2 C3 . . 121.8(3) ?
    C1 C2 H2 . . 119.1 ?
    C3 C2 H2 . . 119.1 ?
    C4 C3 C2 . . 119.6(3) ?
    C4 C3 C9 . . 121.2(3) ?
    C2 C3 C9 . . 119.2(3) ?
    C5 C4 C3 . . 118.5(3) ?
    C5 C4 C10 . . 119.9(4) ?
    C3 C4 C10 . . 121.7(4) ?
    C4 C5 C6 . . 122.2(3) ?
    C4 C5 H5 . . 118.9 ?
    C6 C5 H5 . . 118.9 ?
    C1 C6 C5 . . 119.7(3) ?
    C1 C6 H6 . . 120.2 ?
    C5 C6 H6 . . 120.2 ?
    O1 C7 N1 . . 122.5(2) ?
    O1 C7 C8 . . 121.8(2) ?
    N1 C7 C8 . . 115.7(2) ?
    C7 C8 H8A . . 109.5 ?
    C7 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    C7 C8 H8C . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
    C3 C9 H9A . . 109.5 ?
    C3 C9 H9B . . 109.5 ?
    H9A C9 H9B . . 109.5 ?
    C3 C9 H9C . . 109.5 ?
    H9A C9 H9C . . 109.5 ?
    H9B C9 H9C . . 109.5 ?
    C4 C10 H10A . . 109.5 ?
    C4 C10 H10B . . 109.5 ?
    H10A C10 H10B . . 109.5 ?
    C4 C10 H10C . . 109.5 ?
    H10A C10 H10C . . 109.5 ?
    H10B C10 H10C . . 109.5 ?
    C17 N2 C11 . . 129.2(2) ?
    C17 N2 H2N . . 116.1(16) ?
    C11 N2 H2N . . 114.7(16) ?
    C16 C11 C12 . . 117.6(3) ?
    C16 C11 N2 . . 123.8(2) ?
    C12 C11 N2 . . 118.5(2) ?
    C13 C12 C11 . . 122.6(3) ?
    C13 C12 H12 . . 118.7 ?
    C11 C12 H12 . . 118.7 ?
    C12 C13 C14 . . 119.0(3) ?
    C12 C13 C19 . . 120.8(3) ?
    C14 C13 C19 . . 120.1(3) ?
    C15 C14 C13 . . 118.1(3) ?
    C15 C14 C20 . . 120.5(3) ?
    C13 C14 C20 . . 121.3(3) ?
    C14 C15 C16 . . 123.1(3) ?
    C14 C15 H15 . . 118.5 ?
    C16 C15 H15 . . 118.5 ?
    C15 C16 C11 . . 119.5(3) ?
    C15 C16 H16 . . 120.3 ?
    C11 C16 H16 . . 120.3 ?
    O2 C17 N2 . . 123.6(2) ?
    O2 C17 C18 . . 120.6(2) ?
    N2 C17 C18 . . 115.8(2) ?
    C17 C18 H18A . . 109.5 ?
    C17 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 109.5 ?
    C17 C18 H18C . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
    C13 C19 H19A . . 109.5 ?
    C13 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    C13 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    C14 C20 H20A . . 109.5 ?
    C14 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 109.5 ?
    C14 C20 H20C . . 109.5 ?
    H20A C20 H20C . . 109.5 ?
    H20B C20 H20C . . 109.5 ?
    C27 N3 C21 . . 129.3(2) ?
    C27 N3 H3N . . 114.5(19) ?
    C21 N3 H3N . . 116.2(18) ?
    C22 C21 C26 . . 118.2(2) ?
    C22 C21 N3 . . 117.3(2) ?
    C26 C21 N3 . . 124.5(2) ?
    C23 C22 C21 . . 122.9(2) ?
    C23 C22 H22 . . 118.6 ?
    C21 C22 H22 . . 118.6 ?
    C22 C23 C24 . . 119.0(2) ?
    C22 C23 C29 . . 119.8(3) ?
    C24 C23 C29 . . 121.2(3) ?
    C25 C24 C23 . . 117.7(3) ?
    C25 C24 C30 . . 120.7(3) ?
    C23 C24 C30 . . 121.5(3) ?
    C26 C25 C24 . . 123.7(3) ?
    C26 C25 H25 . . 118.2 ?
    C24 C25 H25 . . 118.2 ?
    C25 C26 C21 . . 118.6(3) ?
    C25 C26 H26 . . 120.7 ?
    C21 C26 H26 . . 120.7 ?
    O3 C27 N3 . . 123.1(2) ?
    O3 C27 C28 . . 121.4(2) ?
    N3 C27 C28 . . 115.5(2) ?
    C27 C28 H28A . . 109.5 ?
    C27 C28 H28B . . 109.5 ?
    H28A C28 H28B . . 109.5 ?
    C27 C28 H28C . . 109.5 ?
    H28A C28 H28C . . 109.5 ?
    H28B C28 H28C . . 109.5 ?
    C23 C29 H29A . . 109.5 ?
    C23 C29 H29B . . 109.5 ?
    H29A C29 H29B . . 109.5 ?
    C23 C29 H29C . . 109.5 ?
    H29A C29 H29C . . 109.5 ?
    H29B C29 H29C . . 109.5 ?
    C24 C30 H30A . . 109.5 ?
    C24 C30 H30B . . 109.5 ?
    H30A C30 H30B . . 109.5 ?
    C24 C30 H30C . . 109.5 ?
    H30A C30 H30C . . 109.5 ?
    H30B C30 H30C . . 109.5 ?
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
    C7 N1 C1 C6 . . . . -29.7(4) ?
    C7 N1 C1 C2 . . . . 154.5(3) ?
    C6 C1 C2 C3 . . . . -0.6(4) ?
    N1 C1 C2 C3 . . . . 175.4(2) ?
    C1 C2 C3 C4 . . . . 2.2(4) ?
    C1 C2 C3 C9 . . . . -175.8(3) ?
    C2 C3 C4 C5 . . . . -1.6(4) ?
    C9 C3 C4 C5 . . . . 176.3(3) ?
    C2 C3 C4 C10 . . . . 178.8(3) ?
    C9 C3 C4 C10 . . . . -3.3(5) ?
    C3 C4 C5 C6 . . . . -0.5(5) ?
    C10 C4 C5 C6 . . . . 179.2(3) ?
    C2 C1 C6 C5 . . . . -1.4(4) ?
    N1 C1 C6 C5 . . . . -177.3(3) ?
    C4 C5 C6 C1 . . . . 2.0(5) ?
    C1 N1 C7 O1 . . . . -4.0(5) ?
    C1 N1 C7 C8 . . . . 175.1(2) ?
    C17 N2 C11 C16 . . . . 7.9(4) ?
    C17 N2 C11 C12 . . . . -173.6(3) ?
    C16 C11 C12 C13 . . . . -2.1(4) ?
    N2 C11 C12 C13 . . . . 179.3(2) ?
    C11 C12 C13 C14 . . . . -0.4(4) ?
    C11 C12 C13 C19 . . . . 178.2(3) ?
    C12 C13 C14 C15 . . . . 2.1(4) ?
    C19 C13 C14 C15 . . . . -176.5(3) ?
    C12 C13 C14 C20 . . . . -178.3(3) ?
    C19 C13 C14 C20 . . . . 3.1(5) ?
    C13 C14 C15 C16 . . . . -1.3(5) ?
    C20 C14 C15 C16 . . . . 179.1(3) ?
    C14 C15 C16 C11 . . . . -1.2(5) ?
    C12 C11 C16 C15 . . . . 2.9(4) ?
    N2 C11 C16 C15 . . . . -178.6(3) ?
    C11 N2 C17 O2 . . . . 1.1(4) ?
    C11 N2 C17 C18 . . . . -178.3(2) ?
    C27 N3 C21 C22 . . . . 178.8(2) ?
    C27 N3 C21 C26 . . . . -0.5(4) ?
    C26 C21 C22 C23 . . . . 0.2(4) ?
    N3 C21 C22 C23 . . . . -179.1(2) ?
    C21 C22 C23 C24 . . . . -0.1(4) ?
    C21 C22 C23 C29 . . . . 179.6(3) ?
    C22 C23 C24 C25 . . . . -0.1(4) ?
    C29 C23 C24 C25 . . . . -179.9(3) ?
    C22 C23 C24 C30 . . . . -179.9(3) ?
    C29 C23 C24 C30 . . . . 0.4(4) ?
    C23 C24 C25 C26 . . . . 0.3(5) ?
    C30 C24 C25 C26 . . . . -179.9(3) ?
    C24 C25 C26 C21 . . . . -0.3(5) ?
    C22 C21 C26 C25 . . . . 0.0(4) ?
    N3 C21 C26 C25 . . . . 179.3(3) ?
    C21 N3 C27 O3 . . . . 0.7(4) ?
    C21 N3 C27 C28 . . . . -178.2(3) ?
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
    N1 H1N O3 . 0.88(3) 2.08(3) 2.956(3) 177(3)
    N3 H3N O2 . 0.86(3) 2.14(3) 2.989(3) 172(3)
    N2 H2N O1 1_565 0.98(3) 1.92(3) 2.893(3) 170(2)
data_global
_journal_date_recd_electronic     2007-11-17
_journal_date_accepted     2007-11-19
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2008
_journal_volume     64
_journal_issue      1
_journal_page_first     o11
_journal_page_last     o11
_journal_paper_category     QO
_journal_coeditor_code     LW2051
_publ_contact_author_name     'Prof. B. Thimme Gowda'
_publ_contact_author_address
;
  Department of Chemistry
  Mangalore University
  Mangalagangotri-574 199
  Mangalore, INDIA
;
_publ_contact_author_email     gowdabt@yahoo.com
_publ_contact_author_fax     '91 824 2287367'
_publ_contact_author_phone     '91 824 2287262'
_publ_section_title
;
N-(3,4-Dimethylphenyl)acetamide
;
loop_
    _publ_author_name
    _publ_author_address
    'B. Thimme Gowda'
; Department of Chemistry
  Mangalore University
  Mangalagangotri 574 199
  Mangalore, India
;
    'Sabine Foro'
; Institute of Materials Science
  Darmstadt University of Technology
  Petersenstrasse 23
  D-64287 Darmstadt,
  Germany
;
    'Hartmut Fuess'
; Institute of Materials Science
  Darmstadt University of Technology
  Petersenstrasse 23
  D-64287 Darmstadt,
  Germany
;
