3,5-Bis[(<i>N</i>,<i>N</i>-dimethylamino)methyleneamino]-1-methyl-4-nitropyrazole from X-ray powder diffraction data
Chernyshev, Vladimir V.; Tafeenko, Victor A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik; Acta Crystallographica Section C 56 (2000) 1159–1160; doi:10.1107/S010827010000860X

data_2011297
_publ_section_title
;3,5-Bis[(<i>N</i>,<i>N</i>-dimethylamino)methyleneamino]-1-methyl-4-nitropyrazole
 from X-ray powder diffraction data
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1159
_journal_page_last               1160
_journal_paper_doi               10.1107/S010827010000860X
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'C10 H17 N7 O2'
_chemical_formula_weight         267.31
_chemical_name_systematic
;
1-Methyl-3,5-di(N,N-dimethylaminomethylen)amino-4-nitropyrazol
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.11(3)
_cell_angle_beta                 95.12(3)
_cell_angle_gamma                78.22(3)
_cell_formula_units_Z            2
_cell_length_a                   9.577(4)
_cell_length_b                   9.972(4)
_cell_length_c                   7.602(4)
_cell_measurement_temperature    295(2)
_cell_volume                     682.4(5)
_computing_cell_refinement       'LSPAID (Visser et al., 1986)'
_computing_data_collection
'Johannson LS18 linescanner data collection program'
_computing_data_reduction        'Philips Profile Fit  (Philips, 1996)'
_computing_molecular_graphics    'PLUTON (Spek, 1997)'
_computing_publication_material
'  MRIA, SHELXL93 (Sheldrick, 1993) and PARST (Nardelli, 1983)'
_computing_structure_refinement  MRIA
_computing_structure_solution    'MRIA (Zlokazov & Chernyshev, 1992)'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device_type  'Enraf-Nonius Guinier Johannson camera FR 552'
_diffrn_radiation_monochromator  quartz
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.54059
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_exptl_absorpt_coefficient_mu    .800
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             284
_refine_diff_density_max         .5
_refine_diff_density_min         -.5
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.67
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    17
_refine_ls_number_parameters     149
_refine_ls_number_restraints     63
_refine_ls_shift/su_max          .05
_refine_ls_shift/su_mean         .02
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            br1291.cif
_cod_data_source_block           I
_cod_original_cell_volume        682.4(6)
_cod_database_code               2011297