An Imidazo[1,2-<i>a</i>]pyrazine Derivative, C~18~H~19~N~3~
Parihar, D. S.; Bohra, R.; Prasad, R. N.; Nagar, P. N.; Acta Crystallographica Section C 51 (1995) 482–484; doi:10.1107/S0108270194009017

data_2003299
_publ_section_title
;
 An Imidazo[1,2-<i>a</i>]pyrazine Derivative, C~18~H~19~N~3~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              482
_journal_page_last               484
_journal_paper_doi               10.1107/S0108270194009017
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'recrystallization from DMSO'
_chemical_formula_moiety         'C18 H19 N3'
_chemical_formula_sum            'C18 H19 N3'
_chemical_formula_weight         277.37
_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           'SDP-Plus (Enraf-Nonius, 1983)'
_cell_angle_alpha                90.
_cell_angle_beta                 112.98(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.452(6)
_cell_length_b                   14.330(16)
_cell_length_c                   11.826(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2
_cell_volume                     1475(2)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.093
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            2853
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  30
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_description       plates
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.16
_refine_diff_density_min         0.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.51
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     266
_refine_ls_number_reflns         1269
_refine_ls_R_factor_obs          0.048
_refine_ls_shift/esd_max         0.33
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w  = 1/\s(F^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.050
_reflns_number_observed          1269
_reflns_number_total             2696
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            vj1005.cif
_cod_data_source_block           vj1005a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s(F^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(F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1474.7
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2003299