#------------------------------------------------------------------------------
#$Date: 2025-08-19 00:52:38 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301791 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/13/2001329.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2001329
loop_
_publ_author_name
'Okabe, N.'
'Fukuda, H.'
'Nakamura, T.'
_publ_section_title
;
 Structure of hydralazine hydrochloride
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1844
_journal_page_last               1845
_journal_paper_doi               10.1107/S0108270193003762
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C8 H9 Cl N4'
_chemical_formula_weight         196.64
_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 Table 2.2A'
_cell_angle_alpha                90.0
_cell_angle_beta                 103.57(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.644(2)
_cell_length_b                   14.531(3)
_cell_length_c                   9.4130(10)
_cell_measurement_reflns_used    17
_cell_measurement_temperature    296
_cell_measurement_theta_max      13.50
_cell_measurement_theta_min      10.35
_cell_volume                     883.4(3)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2299
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        'decay of 5.08'
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.385
_exptl_absorpt_correction_T_max  1.03
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_type   'DIFABS (Walker & Stuart, 1983)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_density_meas      1.4780(10)
_exptl_crystal_description       Needle
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.24
_refine_ls_goodness_of_fit_obs   1.61
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1184
_refine_ls_R_factor_obs          0.047
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F^2^
_refine_ls_weighting_details     'w = 4F~o~^2^/\s^2^(F~o~)^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.056
_reflns_number_observed          1184
_reflns_number_total             2128
_reflns_observed_criterion       I>3.00\s(I)
_cod_data_source_file            oh1021.cif
_cod_data_source_block           oh1021_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4F~o~^2^/\s^2^(F~o~)^2^' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
4F~o~^2^/\s^2^(F~o~)^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               2001329
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cl(1) .9171(2) .13564(7) .81610(10)
N(2) .0287(4) .4194(2) .1857(3)
N(3) .0725(5) .4496(2) .3277(3)
N(4) -.0241(5) .3150(2) -.0009(3)
N(5) -.0545(5) .3889(2) -.1023(3)
C(1) .0160(5) .3322(2) .1402(4)
C(4) .1020(5) .3856(2) .4267(4)
C(5) .1244(6) .2233(3) .5072(4)
C(6) .1141(6) .1313(3) .4725(4)
C(7) .0735(6) .1026(2) .3258(4)
C(8) .0402(5) .1668(2) .2143(4)
C(9) .0487(5) .2603(2) .2492(4)
C(10) .0925(5) .2889(2) .3951(3)
H(2) .0100 .4652 .1083
H(4) .1444 .4108 .5266
H(4A) -.0490 .2562 -.0531
H(5) .1504 .2402 .6133
H(5A) .0574 .3712 -.1646
H(5B) -.2046 .3749 -.1685
H(6) .1513 .0738 .5379
H(7) .0902 .0323 .3178
H(8) .0098 .1460 .1113
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
N(3) N(2) C(1) 126.9(3) yes
N(2) N(3) C(4) 115.5(3) yes
N(5) N(4) C(1) 119.8(3) yes
N(2) C(1) N(4) 119.2(3) yes
N(2) C(1) C(9) 118.1(3) yes
N(4) C(1) C(9) 122.7(3) yes
N(3) C(4) C(10) 124.1(3) yes
C(6) C(5) C(10) 119.5(3) yes
C(5) C(6) C(7) 120.6(3) yes
C(6) C(7) C(8) 120.3(3) yes
C(7) C(8) C(9) 119.2(3) yes
C(1) C(9) C(8) 123.1(3) yes
C(1) C(9) C(10) 116.4(3) yes
C(8) C(9) C(10) 120.5(3) yes
C(4) C(10) C(5) 121.2(3) yes
C(4) C(10) C(9) 118.9(3) yes
C(5) C(10) C(9) 119.9(3) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
N(2) N(3) 1.371(4) yes
N(2) C(1) 1.334(4) yes
N(2) H(2) .973 no
N(3) C(4) 1.299(4) yes
N(4) N(5) 1.420(4) yes
N(4) C(1) 1.316(4) yes
N(4) H(4A) .980 no
N(5) H(5A) 1.081 no
N(5) H(5B) 1.065 no
C(1) C(9) 1.444(4) yes
C(4) C(10) 1.435(4) yes
C(4) H(4) .987 no
C(5) C(6) 1.374(5) yes
C(5) C(10) 1.400(5) yes
C(5) H(5) 1.004 no
C(6) C(7) 1.406(5) yes
C(6) H(6) 1.033 no
C(7) C(8) 1.383(5) yes
C(7) H(7) 1.033 no
C(8) C(9) 1.396(5) yes
C(8) H(8) .990 no
C(9) C(10) 1.398(4) yes
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 135939247
