The acid adducts hydrazinium 2-hydroxybenzoate–2-hydroxybenzoic acid (1/1) and hydrazinium 3-hydroxy-2-naphthoate–3-hydroxy-2-naphthoic acid (1/1)
Arunadevi, N.; Devipriya, S.; Vairam, S.; Acta Crystallographica Section C 68 (2012) o61–o64; doi:10.1107/S0108270111054722

data_2018368
_publ_section_title
;
 The acid adducts hydrazinium 2-hydroxybenzoate--2-hydroxybenzoic acid
 (1/1) and hydrazinium 3-hydroxy-2-naphthoate--3-hydroxy-2-naphthoic acid
 (1/1)
;
_journal_coeditor_code           BI3027
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o61
_journal_page_last               o64
_journal_paper_doi               10.1107/S0108270111054722
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'N2 H5 + , C11 H7 O3 - , C11 H8 O3'
_chemical_formula_moiety         'N2 H5 +, C11 H7 O3 -, C11 H8 O3'
_chemical_formula_sum            'C22 H20 N2 O6'
_chemical_formula_weight         408.40
_chemical_name_common
;
Hydrazinium 3-hydroxy-2-naphthoate-3-hydroxy-2-naphthoic acid
;
_chemical_name_systematic
;
hydrazinium 3-hydroxy-2-naphthoate--3-hydroxy-2-naphthoic acid (1/1)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                89.248(5)
_cell_angle_beta                 86.963(5)
_cell_angle_gamma                100.609(5)
_cell_formula_units_Z            2
_cell_length_a                   7.376(5)
_cell_length_b                   7.915(5)
_cell_length_c                   16.778(5)
_cell_measurement_reflns_used    7727
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.36
_cell_measurement_theta_min      2.43
_cell_volume                     961.2(9)
_computing_cell_refinement       'APEX2 and SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT and XPREP (Bruker, 2004)'
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, 1997) and Mercury (Macrae <i>et al.</i>,
2008)
;
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD area-detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_sigmaI/netI    0.0190
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20463
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.43
_diffrn_reflns_theta_min         2.43
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.104
_exptl_absorpt_correction_T_max  0.9795
_exptl_absorpt_correction_T_min  0.9695
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             428
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.273
_refine_diff_density_min         -0.179
_refine_ls_extinction_coef       0.013(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     304
_refine_ls_number_reflns         4362
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0498
_refine_ls_R_factor_gt           0.0373
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0636P)^2^+0.1183P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1050
_refine_ls_wR_factor_ref         0.1166
_reflns_number_gt                3408
_reflns_number_total             4362
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi3027.cif
_cod_data_source_block           II
_cod_database_code               2018368
_cod_database_fobs_code          2018368