5-(2-Chlorobenzyl)-6-methyl-3(2<i>H</i>)-pyridazinone
Moreau, S.; Metin, J.; Coudert, P.; Couquelet, J.; Acta Crystallographica Section C 51 (1995) 1834–1836; doi:10.1107/S0108270195002757

data_2003908
_publ_section_title
;
 5-(2-Chlorobenzyl)-6-methyl-3(2<i>H</i>)-pyridazinone
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1834
_journal_page_last               1836
_journal_paper_doi               10.1107/S0108270195002757
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C12 H11 Cl N2 O'
_chemical_formula_weight         234.69
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 100.570(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.2700(10)
_cell_length_b                   7.076(4)
_cell_length_c                   11.2270(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      15
_cell_measurement_theta_min      8
_cell_volume                     567.7(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -018
_diffrn_reflns_number            2650
_diffrn_reflns_theta_max         35
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .31
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_meas      1.2
_exptl_crystal_description       prism
_exptl_crystal_size_max          .42
_exptl_crystal_size_mid          .21
_exptl_crystal_size_min          .12
_refine_diff_density_max         .33
_refine_diff_density_min         -0.36
_refine_ls_extinction_coef       'g = 1.683E-6'
_refine_ls_extinction_method
'F~c~ = |F~o~|(1 + gI~c~) (Stout & Jensen, 1968)'
_refine_ls_goodness_of_fit_obs   1.67
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     189
_refine_ls_number_reflns         1468
_refine_ls_R_factor_obs          .051
_refine_ls_shift/esd_max         .01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .054
_reflns_number_observed          1247
_reflns_number_total             2650
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            jz1037.cif
_cod_data_source_block           jz1037a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^' 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^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        567.8
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2003908