<i>N</i>^2^-(4,6-Diméthylpyrid-2-yl)-<i>N</i>^1^-méthylpyrazine-2-carboxamidine
Rodier, N.; Rideau, O.; Robert, J.-M.; Le Baut, G.; Acta Crystallographica Section C 50 (1994) 1760–1762; doi:10.1107/S0108270194001411

data_2010223
_publ_section_title
<i>N</i>^2^-(4,6-Dim\'ethylpyrid-2-yl)-<i>N</i>^1^-m\'ethylpyrazine-2-carboxamidine
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1760
_journal_page_last               1762
_journal_paper_doi               10.1107/S0108270194001411
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C13 H15 N5'
_chemical_formula_sum            'C13 H15 N5'
_chemical_formula_weight         241.3
_space_group_IT_number           14
_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           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 102.16(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.335(2)
_cell_length_b                   7.418(2)
_cell_length_c                   15.424(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    273
_cell_measurement_theta_max      14.34
_cell_measurement_theta_min      7.47
_cell_volume                     1267.8(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            2473
_diffrn_reflns_theta_max         26
_diffrn_standards_decay_%        n\'egligeable
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            jaune
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_description       'prisme hexagonal irr\'egulier'
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.20(3)
_refine_diff_density_min         -0.14(3)
_refine_ls_extinction_coef       'g = 6.1(4)E-7'
_refine_ls_extinction_method     'Stout & Jensen (1968)'
_refine_ls_goodness_of_fit_obs   1.239
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     200
_refine_ls_number_reflns         1678
_refine_ls_R_factor_obs          0.041
_refine_ls_shift/esd_max         0.04
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/({[F^2^ + 2F\s(F)]^1/2^-F}^2^ + 3)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.039
_reflns_number_observed          1678
_reflns_number_total             2473
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            pa1090.cif
_cod_data_source_block           pa1090_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/({[F^2^ + 2F\s(F)]^1/2^-F}^2^
+ 3)' was changed to 'calc'. New tag '_refine_ls_weighting_details'
was created. The value of the new tag was set to 'w = 1/({[F^2^ +
2F\s(F)]^1/2^-F}^2^ + 3)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1267.8(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2010223