Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions
Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher; Acta Crystallographica Section C 62 (2006) o618–o624; doi:10.1107/S0108270106034974

data_2015609
_publ_section_title
;
 Four substituted benzohydrazides: hydrogen-bonded structures in one,
 two and three dimensions
;
_journal_coeditor_code           GG3041
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o618
_journal_page_last               o624
_journal_paper_doi               10.1107/S0108270106034974
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C7 H6 Cl2 N2 O'
_chemical_formula_moiety         'C7 H6 Cl2 N2 O'
_chemical_formula_sum            'C7 H6 Cl2 N2 O'
_chemical_formula_weight         205.04
_chemical_name_systematic
;
2,6-Dichlorobenzohydrazide
;
_space_group_IT_number           14
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_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 110.485(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.5511(2)
_cell_length_b                   14.4834(4)
_cell_length_c                   8.3097(3)
_cell_measurement_reflns_used    1952
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.81
_cell_volume                     851.33(5)
_computing_cell_refinement       'DENZO--SMN (Otwinowski & Minor, 1997)'
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_computing_data_reduction        DENZO--SMN
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL97 and PRPKAPPA (Ferguson, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker--Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
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_diffrn_reflns_limit_l_max       10
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_diffrn_reflns_theta_min         2.81
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_exptl_absorpt_correction_T_min  0.700
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lath
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_exptl_crystal_size_mid          0.36
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_refine_diff_density_min         -0.264
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_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0350P)^2^+0.3426P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.0715
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_reflns_threshold_expression     I>2\s(I)
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_cod_database_code               2015609
_cod_database_fobs_code          2015609