A re-examination of supramolecular aggregation in two polymorphs of acetone 2,4-dinitrophenylhydrazone
Wardell, James L.; Low, John N.; Glidewell, Christopher; Acta Crystallographica Section C 63 (2007) o231–o233; doi:10.1107/S0108270107006981

data_2015917
_publ_section_title
;
 A re-examination of supramolecular aggregation in two polymorphs of
 acetone 2,4-dinitrophenylhydrazone
;
_journal_coeditor_code           SK3098
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o231
_journal_page_last               o233
_journal_paper_doi               10.1107/S0108270107006981
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C9 H10 N4 O4'
_chemical_formula_moiety         'C9 H10 N4 O4'
_chemical_formula_sum            'C9 H10 N4 O4'
_chemical_formula_weight         238.21
_chemical_name_systematic
;
Acetone 2,4-dinitrophenylhydrazone
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 88.822(3)
_cell_angle_gamma                77.387(3)
_cell_formula_units_Z            2
_cell_length_a                   7.0932(3)
_cell_length_b                   8.2032(4)
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_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.60
_cell_measurement_theta_min      2.21
_cell_volume                     522.49(4)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997) and COLLECT'
_computing_data_collection       'COLLECT (Hooft, 1999)'
_computing_data_reduction        'DENZO and COLLECT'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
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_computing_structure_solution
'OSCAIL (McArdle, 2003) and SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker--Nonius KappaCCD'
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_diffrn_radiation_monochromator  graphite
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_exptl_absorpt_correction_T_min  0.964
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0820P)^2^+0.0909P] where P=(Fo^2^+2Fc^2^)/3'
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