Structure of 2-methylthio-7,8-dihydroquinazolin-5(6<i>H</i>)-one amidinohydrazone hydrochloride, C~10~H~15~N~6~S^+^.Cl^{-^}
Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.; Acta Crystallographica Section C 50 (1994) 289–291; doi:10.1107/S0108270193006626

data_2009447
_publ_section_title
;
 Structure of 2-methylthio-7,8-dihydroquinazolin-5(6<i>H</i>)-one
 amidinohydrazone hydrochloride, C~10~H~15~N~6~S^+^.Cl^{-^}
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              289
_journal_page_last               291
_journal_paper_doi               10.1107/S0108270193006626
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C10 H15 N6 S1,Cl'
_chemical_formula_sum            'C10 H15 Cl N6 S'
_chemical_formula_weight         286.785
_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           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 103.43(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.302(4)
_cell_length_b                   32.430(10)
_cell_length_c                   5.666(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      26
_cell_measurement_theta_min      18
_cell_volume                     1305.0(12)
_diffrn_measurement_device       'Philips PW1100'
_diffrn_measurement_method       'stepscan \w-2\q'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2563
_diffrn_reflns_theta_max         66
_diffrn_standards_decay_%        <1.5
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.44
_exptl_absorpt_correction_T_max  1.465
_exptl_absorpt_correction_T_min  0.830
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.2
_refine_diff_density_min         -0.3
_refine_ls_extinction_coef       6.0(10)
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_goodness_of_fit_obs   3.1
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     165
_refine_ls_number_reflns         1960
_refine_ls_R_factor_obs          0.0514
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0525
_reflns_number_observed          1960
_reflns_number_total             2563
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            du1043.cif
_cod_data_source_block           du1043_structure_1_of_1
_cod_original_cell_volume        1305(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C10 H15 Cl1 N6 S1'
_cod_database_code               2009447