2-(<i>o</i>-Methoxyphenoxy)-1-methylbenzimidazole, C~15~H~14~N~2~O~2~
Vasudevan, K.T.; Puttaraja; Kulkarni, M.V.; Acta Crystallographica Section C 50 (1994) 1286–1288; doi:10.1107/S0108270193010728

data_2009937
_publ_section_title
;
 2-(<i>o</i>-Methoxyphenoxy)-1-methylbenzimidazole, C~15~H~14~N~2~O~2~
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1286
_journal_page_last               1288
_journal_paper_doi               10.1107/S0108270193010728
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C15 H14 N2 O2'
_chemical_formula_weight         254.28
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source
' Cromer & Mann (1968) and Stewart, Davidson & Simpson (1965)'
_cell_angle_alpha                90
_cell_angle_beta                 100.29(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.388(3)
_cell_length_b                   10.4320(10)
_cell_length_c                   16.929(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    300
_cell_measurement_theta_max      20
_cell_measurement_theta_min      0
_cell_volume                     1283.8(6)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2852
_diffrn_reflns_theta_max         27
_diffrn_standards_decay_%        'no significant variation'
_diffrn_standards_interval_count 140
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.052
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_density_meas      1.29(4)
_exptl_crystal_density_method    XX??
_exptl_crystal_description       Needles
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.18
_refine_diff_density_min         -0.22
_refine_ls_hydrogen_treatment    'H atoms refined isotropically'
_refine_ls_number_parameters     228
_refine_ls_number_reflns         1829
_refine_ls_R_factor_obs          0.051
_refine_ls_shift/esd_max         0.056
_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         0.051
_reflns_number_observed          1829
_reflns_number_total             2510
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            cd1052.cif
_cod_data_source_block           cd1052_structure_1_of_1
_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        1283.90(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2009937