1-[(2-Nitrophenyl)hydrazono]-1<i>H</i>-naphthalen-2-one (Pigment Orange 2) from powder data
Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.; Chernyshev, Vladimir V.; Schenk, Henk; Acta Crystallographica Section E 57 (2001) o1152–o1153; doi:10.1107/S1600536801018268

data_2200803
_publ_section_title
;
 1-[(2-Nitrophenyl)hydrazono]-1<i>H</i>-naphthalen-2-one (Pigment
 Orange 2) from powder data
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1152
_journal_page_last               o1153
_journal_paper_doi               10.1107/S1600536801018268
_journal_volume                  57
_journal_year                    2001
_chemical_formula_sum            'C16 H11 N3 O3'
_chemical_formula_weight         293.28
_chemical_melting_point          487
_chemical_name_common            'Pigment Orange 2'
_chemical_name_systematic
;
1-[(2-nitrophenyl)hydrazono]-1H-naphthalen-2-one
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   15.036(5)
_cell_length_b                   12.722(4)
_cell_length_c                   7.042(3)
_cell_measurement_reflns_used    46
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.9
_cell_measurement_theta_min      4.1
_cell_volume                     1347.1(8)
_computing_cell_refinement       'LSPAID (Visser, 1986)'
_computing_data_collection       'local program'
_computing_molecular_graphics    'PLUTON (Spek, 1992)'
_computing_publication_material  'PARST (Nardelli, 1983)'
_computing_structure_refinement  MRIA
_computing_structure_solution    'MRIA (Zlokazov & Chernyshev, 1992)'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device_type  ' DRON-3M diffractometer (Burevestnik, Russia)'
_diffrn_radiation_monochromator  'Ni filtered'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       0
_exptl_absorpt_coefficient_mu    .85
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             608
_refine_diff_density_max         .55
_refine_diff_density_min         -.50
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   3.86
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    0
_refine_ls_number_parameters     112
_refine_ls_number_restraints     14
_refine_ls_shift/su_max          .042
_refine_ls_shift/su_mean         .010
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            ya6065.cif
_cod_data_source_block           I
_cod_database_code               2200803