Anomalous products formed from <i>N</i>-(5,6-dihydrobenzo[<i>h</i>]quinazolin-4-yl)amidines and hydroxylamine hydrochloride
Hirota, T.; Sasaki, K.; Yamamoto, H.; Mori, K.; Kashino, S.; Acta Crystallographica Section C 50 (1994) 807–810; doi:10.1107/S0108270193010583

data_2009725
_publ_section_title
;
 Anomalous products formed from
 <i>N</i>-(5,6-dihydrobenzo[<i>h</i>]quinazolin-4-yl)amidines and
 hydroxylamine hydrochloride
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              807
_journal_page_last               810
_journal_paper_doi               10.1107/S0108270193010583
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C14 H14 N4 O2'
_chemical_formula_weight         270.29
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 96.84(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.246(6)
_cell_length_b                   11.016(3)
_cell_length_c                   14.740(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      11.5
_cell_measurement_theta_min      11.0
_cell_volume                     1329.4(11)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       2\q/\w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            2654
_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        2.7
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.16
_refine_diff_density_min         -0.14
_refine_ls_extinction_coef       1.66E-6
_refine_ls_extinction_method     secondary
_refine_ls_goodness_of_fit_obs   1.43
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     238
_refine_ls_number_reflns         1649
_refine_ls_R_factor_obs          0.041
_refine_ls_shift/esd_max         0.33
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.031
_reflns_number_observed          1649
_reflns_number_total             2474
_reflns_observed_criterion       I>2.0\s(I)
_cod_data_source_file            oh1051.cif
_cod_data_source_block           oh1051_structure_1_of_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F~o~)' 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^(F~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1329.0(10)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2009725