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

data_2103726
_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 hydrazide'
_chemical_name_systematic
;
 1,2-dihydropyridazine-3,6-dione; 6-hydroxy-3-pyridazinone
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                78.80(3)
_cell_angle_beta                 99.36(3)
_cell_angle_gamma                107.13(3)
_cell_formula_units_Z            2
_cell_length_a                   5.8181(10)
_cell_length_b                   5.8000(10)
_cell_length_c                   7.3090(10)
_cell_measurement_temperature    300.0(10)
_cell_volume                     229.75(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      300.0(10)
_diffrn_measured_fraction_theta_full .888
_diffrn_measured_fraction_theta_max .888
_diffrn_measurement_device_type  'KUMA KM-4 CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0454
_diffrn_reflns_av_sigmaI/netI    .0506
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2196
_diffrn_reflns_theta_full        29.71
_diffrn_reflns_theta_max         29.71
_diffrn_reflns_theta_min         3.69
_exptl_absorpt_coefficient_mu    .133
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             116
_exptl_crystal_size_max          .5
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .15
_refine_diff_density_max         .302
_refine_diff_density_min         -.224
_refine_ls_extinction_coef       .035(13)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     90
_refine_ls_number_reflns         1153
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          .0869
_refine_ls_R_factor_gt           .0535
_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^)+(0.0100P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0882
_reflns_number_gt                808
_reflns_number_total             1153
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            bm0045.cif
_cod_data_source_block           mhc300
_cod_original_cell_volume        229.74(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2103726
_cod_database_fobs_code          2103726