##############################################################################
#                                                                            #
# 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
;
4-(Dimethylamino)benzaldehyde--2,4-dinitroaniline (1/1)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C9 H11 N O, C6 H5 N3 O4'
_chemical_formula_sum     'C15 H16 N4 O5'
_chemical_formula_iupac     'C9 H11 N O, C6 H5 N3 O4'
_chemical_formula_weight     332.32
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_space_group_name_Hall     '-P 2yn'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     18.7512(18)
_cell_length_b     7.3182(6)
_cell_length_c     24.338(2)
_cell_angle_alpha     90.00
_cell_angle_beta     109.4930(10)
_cell_angle_gamma     90.00
_cell_volume     3148.4(5)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     1665
_cell_measurement_theta_min     2.525
_cell_measurement_theta_max     20.55
_cell_measurement_temperature     298(2)
_exptl_crystal_description     flake
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.48
_exptl_crystal_size_mid     0.18
_exptl_crystal_size_min     0.11
_exptl_crystal_density_diffrn     1.402
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1392
_exptl_absorpt_coefficient_mu     0.108
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2007)'
_exptl_absorpt_correction_T_min     0.9502
_exptl_absorpt_correction_T_max     0.9883
_exptl_special_details
;
;
_diffrn_ambient_temperature     298(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 SMART CCD'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     15396
_diffrn_reflns_av_R_equivalents     0.0600
_diffrn_reflns_av_sigmaI/netI     0.0800
_diffrn_reflns_theta_min     2.39
_diffrn_reflns_theta_max     25.02
_diffrn_reflns_theta_full     25.02
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -22
_diffrn_reflns_limit_h_max     16
_diffrn_reflns_limit_k_min     -8
_diffrn_reflns_limit_k_max     8
_diffrn_reflns_limit_l_min     -27
_diffrn_reflns_limit_l_max     28
_diffrn_standards_number     ?
_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     5547
_reflns_number_gt     2303
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1327
_refine_ls_R_factor_gt     0.0481
_refine_ls_wR_factor_gt     0.0751
_refine_ls_wR_factor_ref     0.0866
_refine_ls_goodness_of_fit_ref     1.024
_refine_ls_restrained_S_all     1.029
_refine_ls_number_reflns     5547
_refine_ls_number_parameters     433
_refine_ls_number_restraints     6
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0105P)²] 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     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.173
_refine_diff_density_min     -0.204
_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'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2007)'
_computing_cell_refinement     'SAINT (Bruker, 2007)'
_computing_data_reduction     'SAINT (Bruker, 2007)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
                             'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
_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
    N N1 0.13405(12) 0.4177(3) 0.64855(9) 0.0680(7) Uani d . 1 1 . .
    H H1A 0.1570 0.4459 0.6844 0.082 Uiso calc R 1 1 . .
    H H1B 0.0892 0.3723 0.6382 0.082 Uiso calc R 1 1 . .
    N N2 0.06120(14) 0.3253(3) 0.52459(12) 0.0627(7) Uani d U 1 1 . .
    N N3 0.28629(16) 0.5458(4) 0.49136(12) 0.0659(8) Uani d U 1 1 . .
    N N4 0.62137(12) 0.6263(3) 0.60594(9) 0.0730(8) Uani d . 1 1 . .
    H H4A 0.5991 0.6520 0.5698 0.088 Uiso calc R 1 1 . .
    H H4B 0.6661 0.5802 0.6172 0.088 Uiso calc R 1 1 . .
    N N5 0.69136(14) 0.5410(3) 0.73034(12) 0.0640(7) Uani d U 1 1 . .
    N N6 0.46369(16) 0.7627(3) 0.75848(12) 0.0644(7) Uani d . 1 1 . .
    N N7 0.54203(14) 0.1901(3) 0.78750(11) 0.0702(8) Uani d . 1 1 . .
    N N8 0.79608(13) 0.0474(3) 0.53617(10) 0.0672(7) Uani d . 1 1 . .
    O O1 0.02442(11) 0.2921(3) 0.55713(9) 0.0863(7) Uani d . 1 1 . .
    O O2 0.03664(10) 0.2926(3) 0.47188(9) 0.0859(7) Uani d U 1 1 . .
    O O3 0.25494(12) 0.5097(3) 0.43926(10) 0.0856(7) Uani d . 1 1 . .
    O O4 0.34929(12) 0.6141(3) 0.51053(9) 0.0911(8) Uani d . 1 1 . .
    O O5 0.72847(10) 0.4992(3) 0.69840(9) 0.0838(7) Uani d . 1 1 . .
    O O6 0.71548(10) 0.5136(3) 0.78306(9) 0.0864(7) Uani d . 1 1 . .
    O O7 0.49526(11) 0.7428(3) 0.81136(9) 0.0842(7) Uani d . 1 1 . .
    O O8 0.39780(12) 0.8089(3) 0.73743(9) 0.1019(9) Uani d . 1 1 . .
    O O9 0.45542(14) 0.2464(4) 0.51132(9) 0.1171(10) Uani d . 1 1 . .
    O O10 0.72731(12) -0.0839(3) 0.26313(9) 0.0903(8) Uani d . 1 1 . .
    C C1 0.16792(16) 0.4443(4) 0.60916(12) 0.0481(8) Uani d . 1 1 . .
    C C2 0.13580(14) 0.4027(3) 0.54922(12) 0.0450(7) Uani d U 1 1 . .
    C C3 0.17543(15) 0.4359(3) 0.51131(11) 0.0490(8) Uani d . 1 1 . .
    H H3 0.1537 0.4080 0.4719 0.059 Uiso calc R 1 1 . .
    C C4 0.24568(16) 0.5087(4) 0.53145(13) 0.0477(7) Uani d U 1 1 . .
    C C5 0.27963(15) 0.5507(3) 0.59022(13) 0.0516(8) Uani d . 1 1 . .
    H H5 0.3281 0.6002 0.6037 0.062 Uiso calc R 1 1 . .
    C C6 0.24120(15) 0.5186(4) 0.62736(12) 0.0520(8) Uani d . 1 1 . .
    H H6 0.2642 0.5469 0.6666 0.062 Uiso calc R 1 1 . .
    C C7 0.58660(16) 0.6579(4) 0.64448(12) 0.0491(7) Uani d . 1 1 . .
    C C8 0.61777(14) 0.6216(4) 0.70481(11) 0.0472(7) Uani d U 1 1 . .
    C C9 0.57746(15) 0.6585(4) 0.74155(11) 0.0511(8) Uani d . 1 1 . .
    H H9 0.5987 0.6345 0.7812 0.061 Uiso calc R 1 1 . .
    C C10 0.50712(16) 0.7295(4) 0.72008(12) 0.0463(7) Uani d . 1 1 . .
    C C11 0.47405(15) 0.7694(3) 0.66082(12) 0.0507(8) Uani d . 1 1 . .
    H H11 0.4258 0.8197 0.6465 0.061 Uiso calc R 1 1 . .
    C C12 0.51349(16) 0.7334(4) 0.62468(12) 0.0535(8) Uani d . 1 1 . .
    H H12 0.4915 0.7596 0.5852 0.064 Uiso calc R 1 1 . .
    C C13 0.5127(2) 0.2137(4) 0.55089(14) 0.0854(11) Uani d U 1 1 . .
    H H13 0.5553 0.1856 0.5410 0.102 Uiso calc R 1 1 . .
    C C14 0.52185(17) 0.2138(4) 0.61208(12) 0.0536(8) Uani d U 1 1 . .
    C C15 0.46240(16) 0.2653(4) 0.63065(13) 0.0571(8) Uani d . 1 1 . .
    H H15 0.4171 0.3036 0.6034 0.069 Uiso calc R 1 1 . .
    C C16 0.46925(15) 0.2606(3) 0.68821(13) 0.0536(8) Uani d . 1 1 . .
    H H16 0.4288 0.2980 0.6995 0.064 Uiso calc R 1 1 . .
    C C17 0.53573(17) 0.2010(4) 0.73066(13) 0.0516(8) Uani d . 1 1 . .
    C C18 0.59579(15) 0.1494(4) 0.71130(12) 0.0563(8) Uani d . 1 1 . .
    H H18 0.6411 0.1096 0.7382 0.068 Uiso calc R 1 1 . .
    C C19 0.58822(15) 0.1569(4) 0.65354(13) 0.0590(8) Uani d . 1 1 . .
    H H19 0.6288 0.1229 0.6419 0.071 Uiso calc R 1 1 . .
    C C20 0.48038(17) 0.2435(4) 0.80759(12) 0.0838(11) Uani d . 1 1 . .
    H H20A 0.4740 0.3736 0.8045 0.126 Uiso calc R 1 1 . .
    H H20B 0.4918 0.2071 0.8475 0.126 Uiso calc R 1 1 . .
    H H20C 0.4346 0.1849 0.7840 0.126 Uiso calc R 1 1 . .
    C C21 0.61157(16) 0.1308(4) 0.83177(11) 0.0912(11) Uani d . 1 1 . .
    H H21A 0.6202 0.0040 0.8260 0.137 Uiso calc R 1 1 . .
    H H21B 0.6073 0.1472 0.8697 0.137 Uiso calc R 1 1 . .
    H H21C 0.6532 0.2019 0.8288 0.137 Uiso calc R 1 1 . .
    C C22 0.77930(18) -0.0195(4) 0.30214(14) 0.0732(10) Uani d . 1 1 . .
    H H22 0.8208 0.0196 0.2925 0.088 Uiso calc R 1 1 . .
    C C23 0.78384(17) 0.0032(4) 0.36245(13) 0.0523(8) Uani d . 1 1 . .
    C C24 0.72267(15) -0.0435(3) 0.37970(13) 0.0542(8) Uani d . 1 1 . .
    H H24 0.6786 -0.0873 0.3521 0.065 Uiso calc R 1 1 . .
    C C25 0.72604(15) -0.0264(4) 0.43635(13) 0.0534(8) Uani d . 1 1 . .
    H H25 0.6838 -0.0552 0.4466 0.064 Uiso calc R 1 1 . .
    C C26 0.79240(16) 0.0341(4) 0.47947(12) 0.0495(8) Uani d . 1 1 . .
    C C27 0.85369(15) 0.0821(4) 0.46156(12) 0.0547(8) Uani d . 1 1 . .
    H H27 0.8981 0.1253 0.4888 0.066 Uiso calc R 1 1 . .
    C C28 0.84891(15) 0.0661(4) 0.40456(13) 0.0574(8) Uani d . 1 1 . .
    H H28 0.8904 0.0982 0.3938 0.069 Uiso calc R 1 1 . .
    C C29 0.73431(16) -0.0077(4) 0.55566(12) 0.0807(10) Uani d . 1 1 . .
    H H29A 0.6893 0.0574 0.5339 0.121 Uiso calc R 1 1 . .
    H H29B 0.7468 0.0196 0.5964 0.121 Uiso calc R 1 1 . .
    H H29C 0.7259 -0.1366 0.5496 0.121 Uiso calc R 1 1 . .
    C C30 0.86512(15) 0.1111(4) 0.58117(11) 0.0862(11) Uani d . 1 1 . .
    H H30A 0.9054 0.0262 0.5846 0.129 Uiso calc R 1 1 . .
    H H30B 0.8564 0.1195 0.6178 0.129 Uiso calc R 1 1 . .
    H H30C 0.8787 0.2291 0.5706 0.129 Uiso calc R 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
    N1 C1 . 1.329(3) ?
    N1 H1A . 0.8600 ?
    N1 H1B . 0.8600 ?
    N2 O2 . 1.233(3) ?
    N2 O1 . 1.236(3) ?
    N2 C2 . 1.441(3) ?
    N3 O4 . 1.223(3) ?
    N3 O3 . 1.235(3) ?
    N3 C4 . 1.450(3) ?
    N4 C7 . 1.329(3) ?
    N4 H4A . 0.8600 ?
    N4 H4B . 0.8600 ?
    N5 O6 . 1.226(3) ?
    N5 O5 . 1.242(3) ?
    N5 C8 . 1.437(3) ?
    N6 O8 . 1.217(2) ?
    N6 O7 . 1.233(2) ?
    N6 C10 . 1.450(3) ?
    N7 C17 . 1.351(3) ?
    N7 C20 . 1.451(3) ?
    N7 C21 . 1.453(3) ?
    N8 C26 . 1.362(3) ?
    N8 C29 . 1.448(3) ?
    N8 C30 . 1.465(3) ?
    O9 C13 . 1.204(3) ?
    O10 C22 . 1.207(3) ?
    C1 C6 . 1.405(3) ?
    C1 C2 . 1.413(3) ?
    C2 C3 . 1.386(3) ?
    C3 C4 . 1.352(3) ?
    C3 H3 . 0.9300 ?
    C4 C5 . 1.392(3) ?
    C5 C6 . 1.352(3) ?
    C5 H5 . 0.9300 ?
    C6 H6 . 0.9300 ?
    C7 C12 . 1.406(3) ?
    C7 C8 . 1.413(3) ?
    C8 C9 . 1.377(3) ?
    C9 C10 . 1.350(3) ?
    C9 H9 . 0.9300 ?
    C10 C11 . 1.398(3) ?
    C11 C12 . 1.350(3) ?
    C11 H11 . 0.9300 ?
    C12 H12 . 0.9300 ?
    C13 C14 . 1.441(4) ?
    C13 H13 . 0.9300 ?
    C14 C19 . 1.379(3) ?
    C14 C15 . 1.387(3) ?
    C15 C16 . 1.364(3) ?
    C15 H15 . 0.9300 ?
    C16 C17 . 1.397(3) ?
    C16 H16 . 0.9300 ?
    C17 C18 . 1.410(3) ?
    C18 C19 . 1.366(3) ?
    C18 H18 . 0.9300 ?
    C19 H19 . 0.9300 ?
    C20 H20A . 0.9600 ?
    C20 H20B . 0.9600 ?
    C20 H20C . 0.9600 ?
    C21 H21A . 0.9600 ?
    C21 H21B . 0.9600 ?
    C21 H21C . 0.9600 ?
    C22 C23 . 1.451(4) ?
    C22 H22 . 0.9300 ?
    C23 C28 . 1.384(3) ?
    C23 C24 . 1.389(3) ?
    C24 C25 . 1.365(3) ?
    C24 H24 . 0.9300 ?
    C25 C26 . 1.405(3) ?
    C25 H25 . 0.9300 ?
    C26 C27 . 1.403(3) ?
    C27 C28 . 1.365(3) ?
    C27 H27 . 0.9300 ?
    C28 H28 . 0.9300 ?
    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
    C1 N1 H1A . . 120.0 ?
    C1 N1 H1B . . 120.0 ?
    H1A N1 H1B . . 120.0 ?
    O2 N2 O1 . . 122.3(3) ?
    O2 N2 C2 . . 118.8(3) ?
    O1 N2 C2 . . 118.9(3) ?
    O4 N3 O3 . . 123.2(3) ?
    O4 N3 C4 . . 118.5(3) ?
    O3 N3 C4 . . 118.3(3) ?
    C7 N4 H4A . . 120.0 ?
    C7 N4 H4B . . 120.0 ?
    H4A N4 H4B . . 120.0 ?
    O6 N5 O5 . . 121.8(3) ?
    O6 N5 C8 . . 119.0(3) ?
    O5 N5 C8 . . 119.2(3) ?
    O8 N6 O7 . . 122.6(3) ?
    O8 N6 C10 . . 119.0(3) ?
    O7 N6 C10 . . 118.4(3) ?
    C17 N7 C20 . . 121.5(3) ?
    C17 N7 C21 . . 121.8(3) ?
    C20 N7 C21 . . 116.7(3) ?
    C26 N8 C29 . . 122.4(3) ?
    C26 N8 C30 . . 120.9(2) ?
    C29 N8 C30 . . 116.6(2) ?
    N1 C1 C6 . . 118.8(3) ?
    N1 C1 C2 . . 124.9(3) ?
    C6 C1 C2 . . 116.3(3) ?
    C3 C2 C1 . . 120.7(3) ?
    C3 C2 N2 . . 117.0(3) ?
    C1 C2 N2 . . 122.3(3) ?
    C4 C3 C2 . . 120.1(2) ?
    C4 C3 H3 . . 119.9 ?
    C2 C3 H3 . . 119.9 ?
    C3 C4 C5 . . 121.0(3) ?
    C3 C4 N3 . . 119.8(3) ?
    C5 C4 N3 . . 119.2(3) ?
    C6 C5 C4 . . 119.1(3) ?
    C6 C5 H5 . . 120.5 ?
    C4 C5 H5 . . 120.5 ?
    C5 C6 C1 . . 122.7(3) ?
    C5 C6 H6 . . 118.7 ?
    C1 C6 H6 . . 118.7 ?
    N4 C7 C12 . . 118.6(3) ?
    N4 C7 C8 . . 124.8(3) ?
    C12 C7 C8 . . 116.6(3) ?
    C9 C8 C7 . . 120.8(3) ?
    C9 C8 N5 . . 117.1(2) ?
    C7 C8 N5 . . 122.1(3) ?
    C10 C9 C8 . . 120.1(3) ?
    C10 C9 H9 . . 120.0 ?
    C8 C9 H9 . . 120.0 ?
    C9 C10 C11 . . 121.3(3) ?
    C9 C10 N6 . . 120.1(3) ?
    C11 C10 N6 . . 118.6(3) ?
    C12 C11 C10 . . 118.7(3) ?
    C12 C11 H11 . . 120.6 ?
    C10 C11 H11 . . 120.6 ?
    C11 C12 C7 . . 122.4(3) ?
    C11 C12 H12 . . 118.8 ?
    C7 C12 H12 . . 118.8 ?
    O9 C13 C14 . . 126.4(4) ?
    O9 C13 H13 . . 116.8 ?
    C14 C13 H13 . . 116.8 ?
    C19 C14 C15 . . 118.1(3) ?
    C19 C14 C13 . . 121.5(3) ?
    C15 C14 C13 . . 120.4(3) ?
    C16 C15 C14 . . 121.2(3) ?
    C16 C15 H15 . . 119.4 ?
    C14 C15 H15 . . 119.4 ?
    C15 C16 C17 . . 121.5(3) ?
    C15 C16 H16 . . 119.3 ?
    C17 C16 H16 . . 119.3 ?
    N7 C17 C16 . . 121.8(3) ?
    N7 C17 C18 . . 121.3(3) ?
    C16 C17 C18 . . 116.9(3) ?
    C19 C18 C17 . . 120.9(3) ?
    C19 C18 H18 . . 119.6 ?
    C17 C18 H18 . . 119.6 ?
    C18 C19 C14 . . 121.6(3) ?
    C18 C19 H19 . . 119.2 ?
    C14 C19 H19 . . 119.2 ?
    N7 C20 H20A . . 109.5 ?
    N7 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 109.5 ?
    N7 C20 H20C . . 109.5 ?
    H20A C20 H20C . . 109.5 ?
    H20B C20 H20C . . 109.5 ?
    N7 C21 H21A . . 109.5 ?
    N7 C21 H21B . . 109.5 ?
    H21A C21 H21B . . 109.5 ?
    N7 C21 H21C . . 109.5 ?
    H21A C21 H21C . . 109.5 ?
    H21B C21 H21C . . 109.5 ?
    O10 C22 C23 . . 126.9(3) ?
    O10 C22 H22 . . 116.6 ?
    C23 C22 H22 . . 116.6 ?
    C28 C23 C24 . . 118.1(3) ?
    C28 C23 C22 . . 121.8(3) ?
    C24 C23 C22 . . 120.1(3) ?
    C25 C24 C23 . . 121.2(3) ?
    C25 C24 H24 . . 119.4 ?
    C23 C24 H24 . . 119.4 ?
    C24 C25 C26 . . 121.0(3) ?
    C24 C25 H25 . . 119.5 ?
    C26 C25 H25 . . 119.5 ?
    N8 C26 C27 . . 121.8(3) ?
    N8 C26 C25 . . 120.8(3) ?
    C27 C26 C25 . . 117.4(3) ?
    C28 C27 C26 . . 120.8(3) ?
    C28 C27 H27 . . 119.6 ?
    C26 C27 H27 . . 119.6 ?
    C27 C28 C23 . . 121.6(3) ?
    C27 C28 H28 . . 119.2 ?
    C23 C28 H28 . . 119.2 ?
    N8 C29 H29A . . 109.5 ?
    N8 C29 H29B . . 109.5 ?
    H29A C29 H29B . . 109.5 ?
    N8 C29 H29C . . 109.5 ?
    H29A C29 H29C . . 109.5 ?
    H29B C29 H29C . . 109.5 ?
    N8 C30 H30A . . 109.5 ?
    N8 C30 H30B . . 109.5 ?
    H30A C30 H30B . . 109.5 ?
    N8 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
    N1 C1 C2 C3 . . . . 179.8(2) ?
    C6 C1 C2 C3 . . . . -0.4(4) ?
    N1 C1 C2 N2 . . . . 0.0(4) ?
    C6 C1 C2 N2 . . . . 179.8(2) ?
    O2 N2 C2 C3 . . . . 0.1(4) ?
    O1 N2 C2 C3 . . . . 179.3(2) ?
    O2 N2 C2 C1 . . . . 179.9(3) ?
    O1 N2 C2 C1 . . . . -0.9(4) ?
    C1 C2 C3 C4 . . . . 0.0(4) ?
    N2 C2 C3 C4 . . . . 179.9(2) ?
    C2 C3 C4 C5 . . . . 0.3(4) ?
    C2 C3 C4 N3 . . . . -179.0(2) ?
    O4 N3 C4 C3 . . . . 179.0(3) ?
    O3 N3 C4 C3 . . . . 0.2(4) ?
    O4 N3 C4 C5 . . . . -0.4(4) ?
    O3 N3 C4 C5 . . . . -179.2(3) ?
    C3 C4 C5 C6 . . . . -0.3(4) ?
    N3 C4 C5 C6 . . . . 179.0(2) ?
    C4 C5 C6 C1 . . . . -0.1(4) ?
    N1 C1 C6 C5 . . . . -179.7(2) ?
    C2 C1 C6 C5 . . . . 0.4(4) ?
    N4 C7 C8 C9 . . . . -179.9(2) ?
    C12 C7 C8 C9 . . . . 0.3(4) ?
    N4 C7 C8 N5 . . . . -1.5(4) ?
    C12 C7 C8 N5 . . . . 178.7(2) ?
    O6 N5 C8 C9 . . . . -1.9(4) ?
    O5 N5 C8 C9 . . . . 177.4(3) ?
    O6 N5 C8 C7 . . . . 179.6(3) ?
    O5 N5 C8 C7 . . . . -1.1(4) ?
    C7 C8 C9 C10 . . . . 0.3(4) ?
    N5 C8 C9 C10 . . . . -178.2(2) ?
    C8 C9 C10 C11 . . . . -0.9(4) ?
    C8 C9 C10 N6 . . . . 177.9(2) ?
    O8 N6 C10 C9 . . . . -172.5(3) ?
    O7 N6 C10 C9 . . . . 7.5(4) ?
    O8 N6 C10 C11 . . . . 6.3(4) ?
    O7 N6 C10 C11 . . . . -173.7(3) ?
    C9 C10 C11 C12 . . . . 0.8(4) ?
    N6 C10 C11 C12 . . . . -178.0(2) ?
    C10 C11 C12 C7 . . . . -0.2(4) ?
    N4 C7 C12 C11 . . . . 179.8(2) ?
    C8 C7 C12 C11 . . . . -0.4(4) ?
    O9 C13 C14 C19 . . . . 173.6(3) ?
    O9 C13 C14 C15 . . . . -4.0(5) ?
    C19 C14 C15 C16 . . . . 0.3(4) ?
    C13 C14 C15 C16 . . . . 177.9(3) ?
    C14 C15 C16 C17 . . . . -1.2(4) ?
    C20 N7 C17 C16 . . . . -1.3(4) ?
    C21 N7 C17 C16 . . . . -179.0(3) ?
    C20 N7 C17 C18 . . . . 179.9(3) ?
    C21 N7 C17 C18 . . . . 2.1(4) ?
    C15 C16 C17 N7 . . . . -177.7(3) ?
    C15 C16 C17 C18 . . . . 1.2(4) ?
    N7 C17 C18 C19 . . . . 178.5(3) ?
    C16 C17 C18 C19 . . . . -0.4(4) ?
    C17 C18 C19 C14 . . . . -0.4(4) ?
    C15 C14 C19 C18 . . . . 0.5(4) ?
    C13 C14 C19 C18 . . . . -177.1(3) ?
    O10 C22 C23 C28 . . . . 174.9(3) ?
    O10 C22 C23 C24 . . . . -3.2(5) ?
    C28 C23 C24 C25 . . . . 0.7(4) ?
    C22 C23 C24 C25 . . . . 178.8(2) ?
    C23 C24 C25 C26 . . . . -1.9(4) ?
    C29 N8 C26 C27 . . . . -177.7(3) ?
    C30 N8 C26 C27 . . . . -0.7(4) ?
    C29 N8 C26 C25 . . . . 3.2(4) ?
    C30 N8 C26 C25 . . . . -179.8(2) ?
    C24 C25 C26 N8 . . . . -178.6(3) ?
    C24 C25 C26 C27 . . . . 2.2(4) ?
    N8 C26 C27 C28 . . . . 179.4(2) ?
    C25 C26 C27 C28 . . . . -1.4(4) ?
    C26 C27 C28 C23 . . . . 0.3(4) ?
    C24 C23 C28 C27 . . . . 0.1(4) ?
    C22 C23 C28 C27 . . . . -178.0(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
    _geom_hbond_publ_flag
    N1 H1A O10 4_566 0.86 2.18 3.010(3) 163 yes
    N1 H1B O1 . 0.86 2.03 2.640(3) 127 yes
    N1 H1B O7 2_546 0.86 2.49 3.170(3) 136 yes
    N4 H4A O9 3_666 0.86 2.04 2.889(3) 171 yes
    N4 H4B O5 . 0.86 2.02 2.636(3) 128 yes
    N4 H4B O3 3_666 0.86 2.42 3.047(3) 130 yes
data_global
_journal_date_recd_electronic     2011-06-06
_journal_date_accepted     2011-06-09
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue      7
_journal_page_first     o1676
_journal_page_last     o1676
_journal_paper_category     QO
_journal_coeditor_code     LH5267
_publ_contact_author_name     'Zhang Yuewen'
_publ_contact_author_address
;
Department of Chemistry
Taiyuan Normal University
Taiyuan 030031
People's Republic of China
;
_publ_contact_author_email     'ruitaozhu@126.com'
_publ_contact_author_fax     '(86)-351-2275247'
_publ_contact_author_phone     '(86)-351-2275129'
_publ_section_title
;
4-(Dimethylamino)benzaldehyde--2,4-dinitroaniline (1/1)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Zhu, Ruitao' .
;
Department of Chemistry
Taiyuan Normal University
Taiyuan 030031
People's Republic of China
;
    'Li, Haoyang' .
;
Department of Chemistry
Taiyuan Normal University
Taiyuan 030031
People's Republic of China
;
    'Zhang, Yuewen' .
;
Department of Chemistry
Taiyuan Normal University
Taiyuan 030031
People's Republic of China
;
