Polymorphism of maleic hydrazide. I
Katrusiak, Andrzej; Acta Crystallographica Section B 57 (2001) 697–704; doi:10.1107/S010876810101151X

data_2103725
_publ_section_title
;
 Polymorphism of maleic hydrazide. I
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              697
_journal_page_last               704
_journal_paper_doi               10.1107/S010876810101151X
_journal_volume                  57
_journal_year                    2001
_chemical_formula_sum            'C4 H4 N2 O2'
_chemical_formula_weight         112.09
_chemical_name_common            'maleic hydrazidem polymorph 3'
_chemical_name_systematic
;
 1,2-dihydroxypyridazine; 6-hydroxy-3-pyridazinone polymorph 3
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.00(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.6070(15)
_cell_length_b                   6.9070(7)
_cell_length_c                   10.539(3)
_cell_measurement_temperature    293(2)
_cell_volume                     466.66(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .919
_diffrn_measured_fraction_theta_max .919
_diffrn_measurement_device_type  'Kuma KM-4'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  .0273
_diffrn_reflns_av_sigmaI/netI    .0150
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            737
_diffrn_reflns_theta_full        61.97
_diffrn_reflns_theta_max         61.97
_diffrn_reflns_theta_min         7.21
_exptl_absorpt_coefficient_mu    1.128
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             232
_exptl_crystal_size_max          .4
_exptl_crystal_size_mid          .4
_exptl_crystal_size_min          .2
_refine_diff_density_max         .260
_refine_diff_density_min         -.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     89
_refine_ls_number_reflns         671
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          .0550
_refine_ls_R_factor_gt           .0475
_refine_ls_shift/su_max          .000
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0983P)^2^+0.0404P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1036
_reflns_number_gt                580
_reflns_number_total             671
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            bm0045.cif
_cod_data_source_block           mh3
_cod_original_cell_volume        466.68(17)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               2103725
_cod_database_fobs_code          2103725