<i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four molecules representing key stages in the one-pot synthesis of 1,2,3,4-tetrafluoroacridines by treating pentafluorobenzaldehyde with <i>para</i>-substituted anilines
Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E.; Acta Crystallographica Section C 50 (1994) 967–971; doi:10.1107/S010827019400003X

data_2009775
_publ_section_title
;
 <i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1),
 1,2,3,4-tetrafluoro-7-methoxyacridine (2),
 1,2,3,4,7-pentafluoroacridine (3) and
 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four
 molecules representing key stages in the one-pot synthesis of
 1,2,3,4-tetrafluoroacridines by treating pentafluorobenzaldehyde with
 <i>para</i>-substituted anilines
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              967
_journal_page_last               971
_journal_paper_doi               10.1107/S010827019400003X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     'C21 H15 F3 N2'
_chemical_formula_sum            'C21 H15 F3 N2'
_chemical_formula_weight         352.36
_chemical_melting_point          512
_chemical_name_systematic
;
3-p-methylanilino-1,2,4-trifluoro-7-methylacridine
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.23(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   5.871(4)
_cell_length_b                   7.889(3)
_cell_length_c                   34.830(9)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296
_cell_measurement_theta_max      23.39
_cell_measurement_theta_min      14.99
_cell_volume                     1612.8(13)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'TEXSAN: PROCESS (MSC, 1985)'
_computing_molecular_graphics    'TEXSAN:PLUTO (Motherwell & Clegg, 1978)'
_computing_publication_material  'TEXSAN: FINISH (MSC, 1985)'
_computing_structure_refinement  'TEXSAN: LS (MSC, 1985)'
_computing_structure_solution    'TEXSAN: MITHRIL (Gilmore, 1984)'
_diffrn_ambient_temperature      296
_diffrn_measurement_device       AFC6S
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.070
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            3372
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_diffrn_reflns_theta_min         2.0
_diffrn_standards_decay_%        1.09
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.1042
_exptl_absorpt_correction_T_max  1.18
_exptl_absorpt_correction_T_min  0.83
_exptl_absorpt_correction_type   refdelf
_exptl_crystal_colour            pale
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_description       plate
_exptl_crystal_F_000             728.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.15
_refine_diff_density_max         -0.32842
_refine_diff_density_min         0.30392
_refine_ls_goodness_of_fit_obs   4.253
_refine_ls_hydrogen_treatment    'refall execept H on methyl C18 fixed'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         1317
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0683
_refine_ls_shift/esd_max         0.0813
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0662
_reflns_number_observed          1317
_reflns_number_total             3049
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ha1078.cif
_cod_data_source_block           UMIST111
_cod_original_cell_volume        1612(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009775