(<i>Z</i>)-1-Ethyl-3-(4-chlorobenzylidene)-1,2,3,5-tetrahydroimidazo[2,1-<i>b</i>]quinazoline-2,5-dione
Karolak-Wojciechowska, J.; Kiec-Kononowicz, K.; Acta Crystallographica Section C 51 (1995) 1833–1834; doi:10.1107/S0108270195002836

data_2003914
_publ_section_title
(<i>Z</i>)-1-Ethyl-3-(4-chlorobenzylidene)-1,2,3,5-tetrahydroimidazo[2,1-<i>b</i>]quinazoline-2,5-dione
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1833
_journal_page_last               1834
_journal_paper_doi               10.1107/S0108270195002836
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'see text'
_chemical_formula_sum            'C19 H14 Cl N3 O2'
_chemical_formula_weight         351.8
_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'
_atom_type_scat_source           'SHELXTL/PC (Sheldrick, 1990)'
_cell_angle_alpha                90
_cell_angle_beta                 90.65(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.918(4)
_cell_length_b                   12.296(3)
_cell_length_c                   11.193(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      60
_cell_measurement_theta_min      10
_cell_volume                     1640.2(10)
_diffrn_measurement_device       'KUMA KM-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.038
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3671
_diffrn_reflns_theta_max         65
_diffrn_standards_decay_%        10
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.22
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.46
_refine_ls_extinction_coef       'g = 0.0662'
_refine_ls_extinction_method     'empirical; F~c~^*^ = F~c~(1-gF~c~^2^/sin\w)'
_refine_ls_goodness_of_fit_obs   4.84
_refine_ls_number_parameters     227
_refine_ls_number_reflns         1893
_refine_ls_R_factor_obs          0.072
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w =     1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.067
_reflns_number_observed          1893
_reflns_number_total             2742
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            ka1109.cif
_cod_data_source_block           ka1109a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' w = 1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1640.1(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2003914