Methyl 4-Diethylamino-2-formamidothieno[2,3-d]pyrimidine-6-carboxylate
Tsiveriotis, P.; Hadjiliadis, N.; Dahan, F.; Laussac, J. P.; Acta Crystallographica, Section C: Crystal Structure Communications 51 (1995) 1607–1609; doi:10.1107/S0108270194012692

data_2003785
_publ_section_title
;
 Methyl 4-Diethylamino-2-formamidothieno[2,3-d]pyrimidine-6-carboxylate
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   8
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1607
_journal_page_last               1609
_journal_paper_doi               10.1107/S0108270194012692
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'slow evaporation'
_chemical_formula_sum            'C13 H16 N4 O3 S'
_chemical_formula_weight         308.36
_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                 90.81(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.214(1)
_cell_length_b                   10.513(1)
_cell_length_c                   19.459(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      17.6
_cell_measurement_theta_min      11.5
_cell_volume                     1475.7(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            3224
_diffrn_reflns_theta_max         24
_diffrn_standards_decay_%        +-0.3
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.224
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.979
_exptl_absorpt_correction_type
'empirical from \y scans (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_density_meas      ?
_exptl_crystal_description       rectangular
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_exptl_crystal_size_rad          ?
_refine_diff_density_max         0.15
_refine_diff_density_min         -0.23
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.85
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     378
_refine_ls_number_reflns         2983
_refine_ls_R_factor_obs          0.021
_refine_ls_shift/esd_max         0.006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.025
_reflns_number_observed          2983
_reflns_number_total             3224
_reflns_observed_criterion       I>2\s(I)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2003785