1,2-Bis[amino(pyrimidin-2-yl)methylene]hydrazine dihydrate
Shuo Shi; Tian-ming Yao; Xiao-ting Geng; Lin Chen; Liang-nian Ji; Acta Crystallographica Section E 64 (2008) o272–o272; doi:10.1107/S1600536807065889

data_2217225
_publ_section_title
;
 1,2-Bis[amino(pyrimidin-2-yl)methylene]hydrazine dihydrate
;
_journal_coeditor_code           NG2403
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o272
_journal_page_last               o272
_journal_paper_doi               10.1107/S1600536807065889
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'C10 H10 N8, 2H2 O'
_chemical_formula_moiety         'C10 H10 N8, 2H2 O'
_chemical_formula_sum            'C10 H14 N8 O2'
_chemical_formula_weight         278.15
_chemical_name_systematic
;
1,2-Bis[amino(pyrimidin-2-yl)methylene]hydrazine dihydrate
;
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 106.975(7)
_cell_angle_gamma                99.193(6)
_cell_formula_units_Z            1
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_cell_length_b                   7.502(3)
_cell_length_c                   7.588(3)
_cell_measurement_temperature    293(2)
_cell_volume                     310.4(2)
_computing_cell_refinement       'SMART (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT-Plus and SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  'SHELXTL (Bruker, 1998)'
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_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.91
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
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_exptl_absorpt_correction_T_max  0.9802
_exptl_absorpt_correction_T_min  0.9485
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_ls_R_factor_all          0.0529
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0576P)^2^+0.0469P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2403.cif
_cod_data_source_block           I
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_cod_database_code               2217225
_cod_database_fobs_code          2217225